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SKATOLE

Skatole combines the characteristic chemistry of the indole ring with a methyl substituent that enables diverse transformations in fine and specialty chemical synthesis.
Skatole is particularly useful in fragrance formulation, analytical reference work, metabolic research, and the preparation of more complex indole-based molecules.
Skatole has a floral aroma at low concentrations, contributing to the pleasant smell of flowers such as jasmine and orange blossoms.

CAS Number: 83-34-1
EC Number: 201-471-7
Molecular Formula: C9H9N
Molecular Mass: 131.178 g/mol

Synonyms: SALICYLALDEHYDE, 2-Hydroxybenzaldehyde, 90-02-8, o-Hydroxybenzaldehyde, o-Formylphenol, 2-Formylphenol, Salicylal, Salicylic aldehyde, Benzaldehyde, 2-hydroxy-, Salicyladehyde, FEMA No. 3004, DTXSID1021792, 17K64GZH20, NSC-49178, DTXCID001792, CHEBI:16008, NSC-83559, NSC-83560, NSC-83561, NSC-83562, NSC-97202, NSC-112278, RefChem:6210, 201-961-0, Benzaldehyde, o-hydroxy-, Salicylaldehyd, Salizylaldehyd, 2-HYDROXY-BENZALDEHYDE, MFCD00003317, NSC 49178, 2-hydroxy benzaldehyde, CHEMBL108925, Benzaldehyde, hydroxy-, salicyl aldehyde, CAS-90-02-8, 27761-48-4, 2-Hydroxy(formyl-~13~C)benzaldehyde, CCRIS 7451, HSDB 721, EINECS 201-961-0, 2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde, BRN 0471388, UNII-17K64GZH20, salicylylaldehyde, AI3-02174, 28777-87-9, hydroxylbenzaldehyde, hydroxy benzaldehyde, Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity D; Dembrexine Impurity D, hydroxyl benzaldehyde, 2-hyroxy-benzaldehyde, o-hydroxy benzaldehyde, Salicylaldehyde, 8CI, 2- hydroxybenzaldehyde, 2'-Hydroxybenzaldehyde, WLN: VHR BQ, bmse000677, EC 201-961-0, SALICYLALDEHYDE [MI], SCHEMBL15395, SALICYLALDEHYDE [FCC], 4-08-00-00176 (Beilstein Handbook Reference), SALICYLALDEHYDE [FHFI], SALICYLALDEHYDE [HSDB], SCHEMBL671168, SCHEMBL709610, Salicylaldehyde, >=98%, FG, SCHEMBL2998047, SCHEMBL4456247, SCHEMBL5200892, SCHEMBL11035984, SCHEMBL21828847, SCHEMBL29386538, FEMA 3004, MSK1696, Salicylaldehyde, p.a., 99.0%, CS-D1188, GNA45802, NSC49178, Salicylaldehyde, analytical standard, Tox21_201737, Tox21_302929, BDBM50139367, MSK1696-100A, NSC187662, Salicylaldehyde, reagent grade, 98%, SBB040225, AKOS000119187, 2-hydroxybenzaldehyde (salicylaldehyde), Dembrexine Hydrochloride EP Impurity D, EBC-443046, FS34067, NSC-187662, NCGC00249108-01, NCGC00256460-01, NCGC00259286-01, AS-13997, NS00013184, Salicylaldehyde, redist., >=99.0% (GC), ST50213374, EN300-18033, Salicylaldehyde(Discontinued,See C4X-25751), C06202, F169200, Q414492, Salicylaldehyde Solution in Acetonitrile, 100ug/mL, Z57127523, F2190-0607, InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9, 29734-89-2, 2-Hydroxybenzaldehyd, [German], 2-Hydroxybenzaldehyde, [IUPAC name – generated by ACD/Name], 201-961-0, [EINECS], 471388, [Beilstein], Benzaldehyde, 2-hydroxy-, [Index name – generated by ACD/Name], o-Formylphenol, Salicyl aldehyde, Salicylaldehyd, [German], [IUPAC name – generated by ACD/Name], Salicylaldehyde, [Wiki] , [IUPAC name – generated by ACD/Name], Salicylaldéhyde, [French], [IUPAC name – generated by ACD/Name], salicylic aldehyde, VHR BQ, [WLN], Unverified, 133054-21-4, [RN], 1649426-95-8, [RN], 2-Formylphenol, 2-Hydroxybenzaldehyde (Salicylaldehyde), 201-961-0MFCD00003317, 27761-48-4, [RN], 28777-87-9, [RN], 2′-Hydroxybenzaldehyde, 32912.0, 331458-02-7, [RN], 4-08-00-00176, [Beilstein], 99%, Benzaldehyde, o-hydroxy-, o-Hydroxybenzaldehyde, PHENOXY, 2-FORMYL-, POLY(OXY-1,2-PHENYLENECARBONYL), SAH, Salicaldehyde, SALICYLADEHYDE, Salicylaldehyde-[13C6], 水杨醛Synonyms, 3-METHYLINDOLE, 3-Methyl-1H-indole, Skatole, 83-34-1, Scatole, 1H-Indole, 3-methyl-, Skatol, Indole, 3-methyl-, beta-Methylindole, FEMA No. 3019, DTXSID8021775, 3-methyl-indole, SKATOLUM, 9W945B5H7R, NSC-122024, CHEBI:9171, DTXCID601775, 3 Methylindole, RefChem:58525, 201-471-7, 3-MI, 3-methyl indole, 3-Methyl-4,5-benzopyrrole, MFCD00005627, .beta.-Methylindole, NSC 122024, NCGC00167540-01, Skatole, >=98%, CAS-83-34-1, SMR000677925, CCRIS 8961, HSDB 3511, EINECS 201-471-7, b-Methylindole, UNII-9W945B5H7R, AI3-24372, U 34908; 16a,17-Dihydroxy-corticosterone; 11ss,16a,17,21-Tetrahydroxy-pregn-4-ene-3,20-dione; 11ss,16a,17,21-Tetrahydroxypregn-4-ene-3,20-dione, Skatole (Standard), 3-methyl-1H-indol, 16alpha-Hydroxycortisol, SKATOLUM [HPUS], 3-Methylindole, 98%, SKATOLE [FHFI], SKATOLE [MI], bmse000516, SCHEMBL5396, MLS001332537, MLS001332538, SCHEMBL188194, SCHEMBL323144, SCHEMBL546371, SCHEMBL928747, WLN: T56 BMJ D1, 3-METHYLINDOLE [HSDB], orb1221121, orb1301926, orb3141472, SCHEMBL1791835, SCHEMBL2245520, SCHEMBL3482926, SCHEMBL5497510, SCHEMBL9775725, CHEMBL1329793, MSK2665, HMS2233B05, HMS3371O13, 3-Methylindole, analytical standard, HY-W007355R, Tox21_112537, EBC-24053, MSK2665-100M, NSC122024, s4959, SBB055975, STK033388, AKOS005254880, MSK2665-1000M, Tox21_112537_1, CCG-214598, CG-0502, CS-W007355, FM10897, HY-W007355, SB14956, NCGC00167540-03, AC-13010, DB-011225, M0347, NS00013192, ST45021440, T5281, EN300-41009, 3-Methylindole Solution in Methanol, 100ug/mL, C08313, P10013, SBI-0633474.0002, 3-Methylindole Solution in Methanol, 1000ug/mL, AP-065/40182778, F068788, Q412281, BRD-K73824630-001-03-2, Z415653134, InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H

Skatole is an organic compound belonging to the indole family.
Skatole occurs naturally in the feces of mammals and birds and is the primary contributor to fecal odor.

At high to moderate concentrations, Skatole's aroma is described as "animal, fecal, naphthyl, civet".
In low concentrations, Skatole has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana.
Skatole has also been identified in certain cannabis varieties.

Skatole is one of the volatile compounds in human breath associated with halitosis.

Skatole is used as a fragrance and fixative in many perfumes and as an aroma compound.
Skatole is also used in low concentrations in some ice cream as a flavor enhancer.

Skatole's name derives from the Greek root skato-, meaning feces.
Skatole was discovered in 1877 by the German physician Ludwig Brieger (1849–1919).

Skatole is a methylindole carrying a methyl substituent at position 3.
Skatole is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract.
Skatole has a role as a mammalian metabolite and a human metabolite.

Skatole is a foul-smelling constituent of mammalian feces.
Skatole is produced by the decomposition of tryptophan in the digestive tract.

Skatole has a floral aroma at low concentrations, contributing to the pleasant smell of flowers such as jasmine and orange blossoms.
Skatole also occurs naturally in substances as diverse as beetroot and coal tar.

Skatole is an indole derivative with a strong fecal odor that occurs naturally in feces formed due to the degradation of tryptophan.
Skatole is found in several flowers such as jasmine owing to its flowery smell when present in low concentration.
Skatole is also one of the key contributors to the development of boar taint in fat samples.

Skatole is a mildly toxic white crystalline organic compound belonging to the indole family.
Skatole occurs naturally in feces (it is produced from tryptophan in the mammalian digestive tract), and coal tar, and has a strong fecal odor.

In low concentrations Skatole has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana.
Skatole is used as a fragrance and fixative in many perfumes and as an aroma compound.
Skatole's name is derived from the Greek root skato- meaning “dung”.

Skatole is an aromatic heterocyclic compound belonging to the indole family.
Skatole consists of a fused benzene–pyrrole ring system bearing a methyl group at the 3-position and occurs naturally as a metabolite of tryptophan.
Skatole is used in fragrance chemistry, flavor research, biochemical studies, and as an intermediate in the synthesis of pharmaceuticals, fine chemicals, and other indole derivatives.

Skatole is an organic compound with the chemical formula C9H9N.
Skatole is a colorless to pale yellow solid at room temperature and has a characteristic fecal odor, which is why it is often associated with the smell of feces.

Skatole is a derivative of indole and is produced in the human body during the digestion of tryptophan, an amino acid found in various foods.
Skatole is soluble in organic solvents such as ethanol and ether but has limited solubility in water.

Skatole is used in the fragrance industry for its strong scent and is also studied for its potential biological activities, including its role in the development of certain pheromones.
Additionally, skatole has been investigated for its effects on animal behavior and its potential applications in agriculture as a natural insect repellent.
Due to its strong odor, skatole is handled with care in laboratory settings to avoid unpleasant exposure.

Skatole is a mildly toxic white crystalline organic compound belonging to the indole family.
Skatole occurs naturally in feces (it is produced from tryptophan in the mammalian digestive tract), beets, and coal tar, and has a strong fecal odor.

In low concentrations Skatole has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana.
Skatole is used as a fragrance and fixative in many perfumes and as an aroma compound.
Skatole's name is derived from the Greek root skato- meaning "dung".

Skatole can be found as a white crystalline or fine powder solid, and it browns upon aging.
Skatole is nitrogenous and one of the rings is a pyrrole.

Skatole is soluble in alcohol and benzene and it gives violet color in potassium ferrocyanide (K4Fe(CN)6·3H2O) and sulfuric acid (H2SO4).
Skatole has a double ring system which displays aromaticity.

Skatole is continuous (all atoms in the ring are sp² hybridized), planar, and follows the 4n+2 rule because it has 10 π electrons.
Skatole can be synthesized through a Fischer indole synthesis which was developed by Emil Fischer.

Skatole is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones.
Skatole is commonly used as bait to attract and collect these bees for study.

In a 1994 report released by five top cigarette companies, skatole was listed as one of the 599 additives to cigarettes.
Skatole is a flavoring ingredient.

Skatole is a heterocyclic compound naturally found in the feces of vertebrates and can be found in certain plants.
Skatole can be produced by intestinal bacteria, inducing apoptosis of intestinal epithelial cells through activating aryl hydrocarbon receptors (AhR) and p38.
Skatole has been used in specific products of the perfume industry or as a flavor additive in ice cream.

Skatole is a naturally occurring organic compound renowned for its dual-purpose functionality in the fragrance and flavor industries, as well as its utility in chemical research.
While it exhibits a strong odor in high concentrations, in diluted forms, Skatole provides a sophisticated floral and musky scent commonly utilized in high-end perfumes.

Skatole is a compound produced in the gut microbiome through the degradation of tryptophan, with signaling properties that can influence various physiological processes in the body.

Skatole is a mildly toxic white crystalline organic compound belonging to the indole family.
Sakatole is also described as a white, crystalline, water soluble solid, C 9 H 9 N: used chiefly as a fixative in the manufacture of perfume.

In low concentrations Skatole has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana.
Skatole is used as a fragrance and fixative in many perfumes and as an aroma compound.
Skatole's name is derived from the Greek root skato- meaning "dung".

Skatole is one of many compounds that are attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones.
Skatole is commonly used as bait to attract and collect these bees for study.
Skatole has been shown to be an attractant to gravid mosquitoes in both field and laboratory conditions.

Applications of Skatole:
Skatole is used in fragrance chemistry, flavor research, biochemical studies, pharmaceutical synthesis, and specialty organic chemistry.
Skatole's indole-based aromatic structure makes it a useful intermediate for preparing substituted indoles, heterocyclic compounds, and other high-value organic derivatives.
Although skatole has a strong characteristic odor at higher concentrations, very small quantities can contribute warm, animalic, floral, or jasmine-like nuances in fragrance compositions.

In perfumery, skatole is used in carefully controlled trace amounts to add depth, natural character, and complexity to floral and animalic accords.
Skatole is particularly associated with compositions inspired by jasmine, orange blossom, tuberose, and other rich floral notes.
Skatole's strong odor profile means that it is typically employed at very low concentrations and blended with other aromatic ingredients.

Skatole is also important in biochemical and metabolic research because it is naturally formed through the microbial degradation of tryptophan.
Skatole is studied as a metabolite in intestinal microbiology, fermentation systems, animal nutrition, environmental chemistry, and microbial metabolism.
This makes it useful as a reference compound in analytical methods designed to identify or quantify indole-related metabolites.

In pharmaceutical and medicinal chemistry, skatole can serve as a starting material or structural building block for the synthesis of more complex indole derivatives.
The indole ring is a common structural motif in many biologically active compounds, so skatole derivatives are frequently investigated in drug-discovery research and synthetic methodology development.

In organic synthesis, skatole participates in electrophilic substitution, oxidation, functionalization, and carbon–carbon bond-forming reactions, allowing modification of both the indole nucleus and its methyl substituent.
These transformations support the preparation of functionalized heterocycles, research intermediates, ligands, and specialty molecules.

Skatole is additionally used as an analytical standard in chromatography, spectroscopy, environmental monitoring, and food or odor-analysis studies.
Skatole can be measured in biological samples, fermentation products, wastewater, agricultural environments, and other complex matrices where indolic compounds are of interest.
Skatole's distinctive chemical and sensory characteristics make skatole valuable in fragrance formulation, biochemical research, analytical chemistry, and advanced heterocyclic synthesis.

Skatole is used in perfume fixatives, artificial civet (musk), food flavoring, and experimental veterinary medications.

Microbiome-metabolomics analysis reveals abatement effects of itaconic acid on odorous compound production in Arbor Acre broilers.:
Investigates the impact of itaconic acid on the microbiome and metabolomics profiles of broilers, significantly reducing skatole production, which is a key contributor to odors in poultry.

Postmortomics:

The Potential of Untargeted Metabolomics to Highlight Markers for Time Since Death.:
Discusses the potential of untargeted metabolomics in forensic science to identify time-since-death markers, including skatole, which is relevant in decomposition studies.

Chemical-Mediated Digestion:

An Alternative Realm for Middle-down Proteomics:
Explores alternative methods for protein digestion in proteomics, using chemical mediators including skatole to facilitate the process, offering new avenues for the study of protein structures and functions.

Skatole is the starting material used in the synthesis of:
Atiprosin
Nerispirdine (besipirdine analog).
3-Methyl-3-piperidinooxindole.

Biosynthesis, Chemical Synthesis, and Reactions
Skatole is derived from the amino acid tryptophan in the digestive tract of mammals.
Tryptophan is converted to indoleacetic acid, which decarboxylates to give the methylindole.
Once it is created in the digestive tract of mammals, Skatole is metabolized by cytochrome P450 enzymes in the liver.

Skatole can be prepared in the laboratory via the Fischer indole synthesis, a method for the formation of indole derivatives from phenylhydrazines and carbonyl compounds.
Phenylhydrazine and propanal can be used.

Insect Studies:
Skatole is one of many compounds that are attractive to males of various species of orchid bees, which apparently gather the chemical to synthesize pheromones.
Skatole is commonly used as bait for these bees for study.
Skatole is also known for being an attractant for the Tasmanian grass grub beetle (Aphodius tasmaniae).

Skatole has been shown to be an attractant to gravid mosquitoes in both field and laboratory conditions.
Because this compound is present in feces, it is found in combined sewage overflows (CSO), as streams and lakes containing CSO water have untreated human and industrial waste.
CSO sites are thus of particular interest when studying mosquito-borne diseases such as West Nile virus.

The release of skatole by certain parasitic wasps in the family Bethylidae is used to determine which subfamily the species belongs to.
Species of the Epyrinae subfamily release skatole, while those in the Bethylinae subfamily release a different chemical, spiroacetal.

Animal Studies:
Skatole occurs naturally in the feces of all species of mammals and birds, and in the bovine rumen.

Skatole has been shown to cause pulmonary edema in goats, sheep, rats, and some strains of mice.
Skatole appears to selectively target club cells, which are the major site of cytochrome P450 enzymes in the lungs.
These enzymes convert skatole to a reactive intermediate, 3-methyleneindolenine, which damages cells by forming protein adducts.

With the testicular steroid androstenone, skatole is regarded as a principal determinant of boar taint.
High amounts of skatole stored in the fat tissue of pigs corresponds with boar taint.

To address this, vaccinations with an immunogenic amount of Lawsonia intracellularis antigen are being studied.
This antigen reduces the uptake of skatole into the fat of pigs, thus reducing the effect of boar taint.

Another method used to address skatole concentration in fat tissue is supplementing the pig's diet with 3% chestnut wood extract.
This method showed that intestinal skatole concentration decreased by more than 50%.

Stability and Reactivity of Skatole:

Chemical stability:
Pyrogallol is stable under appropriate storage conditions but may gradually oxidize on exposure to air, light, and moisture.

Reactivity:
Skatole acts as a reducing substance and may react strongly with oxidizing agents, bases, and other reactive chemicals.

Conditions to avoid:
Avoid excessive heat, prolonged air exposure, direct light, moisture, and contact with incompatible substances.

Incompatible materials:
Avoid strong oxidizing agents, strong bases, and other highly reactive materials.

Hazardous decomposition products:
Thermal decomposition or combustion may generate carbon monoxide, carbon dioxide, and irritating organic fumes.

Handling and Storage of Skatole:

Safe handling:
Handle in a well-ventilated area and avoid generating dust or unnecessary contact with the skin and eyes.
Minimize exposure to air and light during handling.

Storage conditions:
Keep the container tightly closed in a cool, dry, and well-ventilated place.
Protect from light, moisture, air, heat, and incompatible materials.

First Aid Measures of Skatole:

Inhalation:
Move the affected person to fresh air and keep them comfortable for breathing.
Seek medical attention if symptoms persist.

Skin contact:
Remove contaminated clothing and wash the affected area thoroughly with soap and water.
Obtain medical advice if irritation develops.

Eye contact:
Rinse cautiously with plenty of water for several minutes.
Remove contact lenses if present and easy to do and continue rinsing.
Seek medical attention if irritation persists.

Ingestion:
Rinse the mouth thoroughly with water.
Seek medical attention if discomfort or adverse symptoms occur.

Firefighting Measures of Skatole:

Suitable extinguishing media:
Use water spray, dry chemical, carbon dioxide, or suitable foam according to surrounding fire conditions.

Protective equipment:
Firefighters should wear appropriate protective clothing and self-contained breathing apparatus where necessary.

Fire-related decomposition:
Combustion may produce carbon oxides and irritating decomposition fumes.

Accidental Release Measures of Skatole:

Personal precautions:
Provide adequate ventilation and avoid generating airborne dust.
Wear suitable personal protective equipment during cleanup.

Cleanup methods:
Carefully sweep or collect spilled material without creating excessive dust.
Place the recovered material in a suitable closed container for disposal.

Environmental precautions:
Prevent unnecessary release into drains, waterways, and soil.

Exposure Controls/Personal Protective of Skatole:

Engineering controls:
Provide adequate general or local exhaust ventilation, especially where dust may be generated.

Eye protection:
Wear suitable safety glasses or chemical protective goggles.

Hand protection:
Wear appropriate chemical-resistant protective gloves.

Skin protection:
Wear suitable laboratory or industrial protective clothing to minimize direct contact.

Respiratory protection:
Use suitable particulate respiratory protection when ventilation is insufficient or airborne dust levels are elevated.

Hygiene measures:
Wash hands thoroughly after handling.
Avoid eating, drinking, or smoking in areas where pyrogallol is handled or stored.

Identifiers of Skatole:
Name: 3-methyl-1H-indole
CAS Number: 83-34-1
ECHA EINECS - REACH Pre-Reg: 201-471-7
FDA UNII: 9W945B5H7R
Nikkaji Web: J3.211E
Beilstein Number: 0111296
MDL: MFCD00005627
CoE Number: 493
XlogP3: 2.60 (est)
Molecular Weight: 131.17773000
Formula: C9 H9 N

CAS Number: 83-34-1
ChEBI: CHEBI:9171
ChemSpider: 6480
ECHA InfoCard: 100.001.338
PubChem CID: 6736
UNII: 9W945B5H7R
CompTox Dashboard (EPA): DTXSID8021775
InChI: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
InChI: InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
Key: ZFRKQXVRDFCRJG-UHFFFAOYAZ
SMILES: Cc1c[nH]c2ccccc12
c1cccc2c1c(c[nH]2)C

Empirical Formula (Hill Notation): C9H9N
CAS Number: 83-34-1
Molecular Weight: 131.17
Flavis Number: 14.004
PubChem Substance ID: 329830553
UNSPSC Code: 12164502
FEMA Number: 3019
NACRES: NA.21
EC Number: 201-471-7
MDL Number: MFCD00005627
Beilstein/REAXYS Number: 111296
Organoleptic: animalic
Biological Source: synthetic
Agency: meets purity specifications of JECFA
Food Allergen: no known allergens

Properties of Skatole:
Appearance: white to tan powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 95.00 to 97.00 °C. @ 760.00 mm Hg
Boiling Point: 265.00 to 266.00 °C. @ 755.00 mm Hg
Vapor Pressure: 0.015000 mmHg @ 25.00 °C. (est)
Flash Point: 269.00 °F. TCC (131.67 °C.)
logP (o/w): 2.600
Shelf Life: 36.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.

Chemical Formula: C9H9N
Molar Mass: 131.178 g·mol−1
Appearance: White crystalline solid
Odor: Fecal matter (pleasant flowery aroma in low concentrations)
Melting Point: 93 to 95 °C (199 to 203 °F; 366 to 368 K)
Boiling Point: 265 °C (509 °F; 538 K)
Solubility in Water: Insoluble

Molecular Weight: 131.17 g/mol
XLogP3: 2.6
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 0
Exact Mass: 131.073499291 Da
Monoisotopic Mass: 131.073499291 Da
Topological Polar Surface Area: 15.8 Ų
Heavy Atom Count: 10
Complexity: 122
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Biological Source: synthetic
Quality Segment: 300
Agency: meets purity specifications of JECFA
Assay: ≥98%
Boiling Point: 265-266 °C (lit.)
Melting Point: 92-97 °C (lit.)
Application(s): flavors and fragrances
Documentation: see Safety & Documentation for available documents
Food Allergen: no known allergens
Organoleptic: animalic
SMILES String: Cc1c[nH]c2ccccc12
InChI: 1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChI Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N

Specifications of Skatole:
Purity: 99.9 %
Moisture: 0.17 %
Melting Point: 96C
Appearance: Snow White Crystalline Powder
Solubility: 1gm of the product is soluble in 3ml of 95% Alcohol

Names of Skatole:

Preferred IUPAC name:
3-Methyl-1H-indole

Other names:
3-Methylindole
4-Methyl-2,3-benzopyrrole
 

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