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CAS Number: 873-94-9
Molecular Weight: 140.22
Beilstein: 507452
EC Number: 212-855-9
MDL number: MFCD00019466
PubChem Substance ID: 24900462
3,3,5-Trimethylcyclohexanol is a precursor to the vasodilator cyclandelate, the sunscreen component homosalate and the VP nerve agent.
TMCHONE can be synthesized by hydrogenation of isophorone.
TMCHONE has a mint flavour.
TMCHONE is a secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position.
TMCHONE exhibits inhibitory activity against HMG-CoA reductase.
TMCHONE has a role as an (hydroxymethylglutaryl-CoA reductase) inhibitor.
TMCHONE is a member of cyclohexanols and a secondary alcohol.
TMCHONE is a precursor to the vasodilator cyclandelate, the sunscreen component homosalate and the VP nerve agent.
TMCHONE can be synthesized by hydrogenation of isophorone.
TMCHONE has a mint flavour.
Uses of TMCHONE
Used as a menthol and camphor substitute, an antifoaming agent, an odor masking chemical, an esterification agent, and a wax additive.
Also used in pharmaceuticals, printing inks, hydraulic fluids, and textile soaps.
TMCON is an industrial solvent with high boiling point.
The solvent has limited miscibility with water.
However, TMCHONE can be mixed with a broad array of organic solvents.
TMCHONE is employed in the production of various industrial products.
TMCHONE is used as a raw material in the manufacture of specialty polycarbonates and polymerization initiators.
Furthermore, 3,3,5-Trimethylcyclohexanone (TMCON) is employed in paints and coatings to enhance the surface finish in terms of better leveling and excellent gloss
Rising demand from end-use industries such as paints & coatings and agro-chemistry is driving the demand for 3,3,5-Trimethylcyclohexanone (TMCON) across the globe
However, higher price of TMCON than its alternatives is likely to hamper the global 3,3,5-Trimethylcyclohexanone (TMCON) market during the forecast period
Application of TMCHONE
3,3,5 - Trimethylcyclohexanol has strong Menthol like odour.
TMCHONE is also called "HOMOMENTHOL" and used as a substitute for Menthol in Toothpaste, Chewing Gum, Flavouring etc.
Used as an Antispasmodic Drug "Cyclandelate".
Identifiers of TMCHONE
CAS Number: 116-02-9
trans: 767-54-4
cis: 933-48-2 check
Beilstein Reference: 2203314
CHEBI:59065
ChEMBL3186608
ChemSpider: 7997
ECHA InfoCard: 100.003.748 Edit this at Wikidata
EC Number: 204-122-7
trans: 212-183-6
cis: 213-268-0
PubChem CID: 8298
UNII
08CL3G94GH
cis: 3T046ESA4Q check
Properties of
Chemical formula: C9H18O
Molar mass: 142.242 g·mol−1
Density: 0.878 at 20 °C
Melting point: 37.0 °C (98.6 °F; 310.1 K)
Boiling point: 198 °C (388 °F; 471 K)
Hazards
GHS labelling:
Pictograms
GHS07: Exclamation mark
Signal word: Warning
Hazard statements: H315, H319, H412
Precautionary statements: P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P501
PRODUCT DESCRIPTION of TMCHONE
3,3,5-Trimethyl cyclohexanone
FORMULA: C9H16O
TYPICAL PRODUCT SPECIFICATIONS
MOLECULAR WEIGHT: 140.22
INCHI: 1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
INCHIKEY: POSWICCRDBKBMH-UHFFFAOYSA-N
NOTES
3,3,5-Trimethyl cyclohexanone uses and applications include:
Specialty solvent; leveling agent, flow control agent for paintscoatings; shelf-life extender for vinyl coatings for metal or plastic; thinner for PVC pastes and plasticizers; raw material
CLASS: Plasticizers, Solvent
FUNCTIONS: Plasticizers, Flow Control Agent, Raw Material
Computed Properties of TMCHONE
Molecular Weight: 140.22
XLogP3-AA: 2.2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 140.120115130
Monoisotopic Mass: 140.120115130
Topological Polar Surface Area: 17.1 Ų
Heavy Atom Count: 10
Formal Charge: 0
Complexity: 147
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Experimental Physico-chemical Properties of TMCHONE
Experimental Melting Point: -10 °C
Experimental Boiling Point:
186 °C
188.8 °C
188-192 °C
188-192 °C
Experimental LogP:
2.542
Experimental Flash Point:
68 °C
66 °C
66 °C
Experimental Refraction Index:
1.445
CAS: 873-94-9
Molecular Formula: C9H16O
Molecular Weight (g/mol): 140.226
MDL Number: MFCD00019466
PubChem CID: 13398
IUPAC Name: 3,3,5-trimethylcyclohexan-1-oneShow More
SMILES
CC1CC(=O)CC(C1)(C)C
Specifications of TMCHONE
Color: Colorless
Boiling Point: 190°C
Quantity: 25mL
Formula Weight: 140.23
Physical Form: Clear Liquid at 20°C
Percent Purity: ≥98.0% (GC)
Chemical Name or Material: 3,3,5-Trimethylcyclohexanone
Specifications
Appearance: Colorless to Almost colorless clear liquid
Purity(GC): min. 90.0 %(total of isomer)
Boiling Point: 86 °C/10 mmHg
Flash point: 74 °C
Specific Gravity (20/20): 0.89
Refractive Index: 1.46
Solubility in water: Slightly soluble
CAS: 116-02-9
Molecular Formula: C9H18O
Molecular Weight (g/mol):142.242
MDL Number:MFCD00019378
InChI Key: BRRVXFOKWJKTGG-UHFFFAOYSA-NShow More
PubChem CID: 8298
ChEBI
CHEBI:59065
IUPAC Name
3,3,5-trimethylcyclohexan-1-ol
SMILES
CC1CC(CC(C1)(C)C)OShow More
Specifications
Color: White
Melting Point: 34°C
Boiling Point: 86°C
Quantity: 25g
Formula Weight 142.24
Physical Form: Crystal at 20°C
Percent Purity: ≥80.0% (GC)
Chemical Name or Material: cis-3,3,5-Trimethylcyclohexanol
Technical Specs: Cis-3,3,5-Trimethylcyclohexanol
CAS Number: 933-48-2
Molecular Weight: 142.24
Chemical Formula: C9H18O
Chemical Container Material: Clear Glass
Chemical Container Type: Bottle
Chemical Grade: Reagent
Chemical Container Size: 25 g
Chemical Family Type: Analytical Reagents
Shelf Life: 24 mo
Chemical properties of TMCHONE
Molecular weight: 142.24
Formula: C9H18O
Purity: >90.0%(GC)
Color/Form: Colorless to Almost colorless clear liquid
MDL: MFCD00019378
Boiling point: 86 °C/10 mmHg
Flash point: 74 °C
HS code: 2906190090
Hazard Info
H Statements:
H315: Causes skin irritation.
H318: Causes serious eye damage.
P Statements:
P264: Wash thoroughly after handling.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: Wash with plenty of soap and water.
P305+P351+P338+P310: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. Immediately call a POISON CENTER or doctor/physician.
P332+P313: If skin irritation occurs: Get medical advice/attention.
P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP].
Specification Test Results of TMCHONE
Solubility: 1.8 g/l (20 °C)
Melting Point: 30 - 32 °C
Molar Mass: 142.24 g/mol
Boiling Point: 193 - 196 °C (1013 hPa)
Vapor Pressure: 1 hPa (50 °C)
Flash Point: 81 °C DIN 51758
Refractive Index: 1.439 (60 °C, 589 nm)
Explosion Limit: 1.5 %(V)
Density: 0.86 g/cm3 (60 °C)
pH: 7 (1.8 g/l, H2O, 20 °C)
Ignition Point: 375 °C DIN 51794
Hazard Statements
H315 : Causes skin irritation.
H318 : Causes serious eye damage.
Precautionary Statements P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ eye protection/ face protection.
P302 + P352 : IF ON SKIN: Wash with plenty of water.
P362 + P364 : Take off contaminated clothing and wash it before reuse.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
Chemical Identifiers of TMCHONE
CAS: 116-02-9
Molecular Formula: C9H18O
Molecular Weight (g/mol): 142.242
MDL Number: MFCD00019378
InChI Key: BRRVXFOKWJKTGG-UHFFFAOYSA-N
PubChem CID: 8298
ChEBI
CHEBI:59065
IUPAC Name: 3,3,5-trimethylcyclohexan-1-ol
SMILES: CC1CC(CC(C1)(C)C)
Chemical & Physical Properties of TMCHONE
Density: 0.9±0.1 g/cm3
Boiling Point: 187.7±8.0 °C at 760 mmHg
Melting Point: 56°C
Molecular Formula: C9H18O
Molecular Weight: 142.239
Flash Point: 73.2±10.9 °C
Exact Mass: 142.135757
PSA: 20.23000
LogP : 2.87
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Index of Refraction: 1.448
Stereochemistry of TMCHONE
Molecular Formula: C9H18O
Molecular Weight: 142.239
Optical Activity: UNSPECIFIED
Defined Stereocenters: 0 / 2
E/Z Centers: 0
Charge: 0
Identifiers of TMCHONE
CAS Number: 116-02-9 c
trans: 767-54-4
cis: 933-48-2 check
Beilstein Reference: 2203314
ChEBI
CHEBI:59065
ChEMBL
ChEMBL3186608
ChemSpider: 7997
ECHA InfoCard: 100.003.748 Edit this at Wikidata
EC Number: 204-122-7
trans: 212-183-6
cis: 213-268-0
PubChem CID: 8298
UNII: 08CL3G94GH
cis: 3T046ESA4Q check
InChI
InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
Key: BRRVXFOKWJKTGG-UHFFFAOYSA-N
SMILES
CC1CC(CC(C1)(C)C)O
Properties
Chemical formula: C9H18O
Molar mass: 142.242 g·mol−1
Density 0.878 at 20 °C
Melting point: 37.0 °C (98.6 °F; 310.1 K)
Boiling point: 198 °C (388 °F; 471 K)
Product Description of TMCHONE
Catalogue NumberT896508
Chemical Name: 3,3,5-Trimethylcyclohexanol
CAS Number: 116-02-9
Molecular Formula: C9H18O
Molecular Weight: 142.24
Applications3,3,5-Trimethylcyclohexanol (cas# 116-02-9) is a useful research chemical.
Physico-chemical Properties of TMCHONE
Molecular Formula: C9H18O
Molar Mass: 142.239
Density: 0.878g/cm3
Melting Point: 30-32℃
Boling Point: 187.7°C at 760 mmHg
Flash Point: 73.2°C
Solubility: 1.8 g/L (20℃)
Vapor Presure: 0.173mmHg at 25°C
Refractive Index: 1.447
Use
TMCHONE is an intermediate in the synthesis of cyclic mandelic acid esters and an intermediate in the synthesis of new plasticizers, lubricants, dinitriles, diamines and alcohols
3,3,5-Trimethylcyclohexanol is known for having characteristic mint flavor which is used in toothpaste & chewing gums.
TMCHONE has chemical formula C9H18O with molecular weight of 142.23 g/mol and density of 0.878 g/mL at 20 degrees C.
TMCHONE is also utilized as cyclandelate, a vasodilator & antispasmodic medicine.
TMCHONE is also required for manufacturing of sunscreens and assures great effectiveness.
TMCHONE can industrially be synthesized by hydrogenation of isophorone under controlled conditions.
TMCHONE shows melting & boiling points of 37 and 98 degrees Celsius respectively.
TMCHONE appears as white colored solid and can be availed at reasonable rates in large quantities.
Product Identification of TMCHONE
Chemical Structure :.
Molecular Formula : C9H18O
Molecular Weight : 142.23
CAS NO. : [116-02-9]
EINECS NO. : 204-122-7
RTECS NO. : GW0875000
Specification of TMCHONE
Appearance : White Mass
Purity by GLC : >99%
Specific Gravity: 0.86
Solidation Point: 370 C to 57 0 C
Moisture: 0.5 % Max.
FEMA GRAS LIST: 3962
Transportation of TMCHONE
UN No. : Not Regulated
Hazardous Class : Not Regulated
Packing Class: Not Regulated
Packing & Storage of TMCHONE
Packing : 50/200 Kgs HMHDPE Open Mouth Drums
Storage : Store in tightly closed container.
First-aid measures of TMCHONE
Description of necessary first-aid measures
If inhaled
Move the victim into fresh air.
If breathing is difficult, give oxygen.
If not breathing, give artificial respiration and consult a doctor immediately.
Do not use mouth to mouth resuscitation if the victim ingested or inhaled the chemical.
Following skin contact
Take off contaminated clothing immediately. Wash off with soap and plenty of water.
Consult a doctor.
Following eye contact
Rinse with pure water for at least 15 minutes.
Consult a doctor.
Following ingestion
Rinse mouth with water. Do not induce vomiting.
Never give anything by mouth to an unconscious person.
Call a doctor or Poison Control Center immediately.
Fire-fighting measures of TMCHONE
Suitable extinguishing media
Water, foam, carbon dioxide, dry chem...
Special protective actions for fire-fighters
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures of TMCHONE
Personal precautions, protective equipment and emergency procedures
Avoid dust formation.
Avoid breathing mist, gas or vapours.Avoid contacting with skin and eye.
Use personal protective equipment.
Wear chemical impermeable gloves.
Ensure adequate ventilation.Remove all sources of ignition.
Evacuate personnel to safe areas.Keep people away from and upwind of spill/leak.
Environmental precautions
Prevent further spillage or leakage if it is safe to do so.
Do not let the chemical enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up
Collect and arrange disposal.
Keep the chemical in suitable and closed containers for disposal.
Remove all sources of ignition.
Use spark-proof tools and explosion-proof equipment.
Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations.
Handling and storage of TMCHONE
Precautions for safe handling
Handling in a well ventilated place.
Wear suitable protective clothing.
Avoid contact with skin and eyes.
Avoid formation of dust and aerosols.
Use non-sparking tools.
Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
Store the container tightly closed in a dry, cool and well-ventilated place.
Store apart from foodstuff containers or incompatible materials.
Specifications & Description of TMCHONE
Formula Weight:142.23
CAS Number: 116-02-9
Description
3,3,5-Trimethylcyclohexanol, mixture of cis and trans 98% (25ml)
Identification of TMCHONE
Name: 3,3,5-Trimethylcyclohexanol
Synonyms: 3,3,5-Trimethyl-1-cyclohexanol; Cyclonol
Molecular Formula: C9H18O
Molecular Weight: 142.24
CAS Registry Number: 116-02-9
EINECS : 204-122-7
Properties of TMCHONE
Density : 0.86
Melting point : 30-32 ºC
Boiling point: 193-196 ºC
Flash point: 81 ºC
Water solubility: 1.8 g/L (20 ºC)
Product Details ofTMCHONE
CAS No. : 116-02-9
MDL No. : MFCD00019378
Formula : C9H18O
Boiling Point : 187.7°C at 760 mmHg
-
Computed Properties of TMCHONE
TPSA : 20.2
H-Bond Acceptor Count : 1
XLogP3 : 2.6
H-Bond Donor Count : 1
SP3 : 1.00
Rotatable Bond Count : 0
Category:Intermediate
Alias:Isophorone alcohol
English name:3,3,5-Trimethylcyclohexanol
CAS NO:116-02-9
Molecular weight:142.2386
Molecular formula:C9H18O
Product Identification of TMCHONE
Molecular Formula: C9H18O
Molecular Weight: 142.23
CAS NO. : 116-02-9
EINECS NO.: 204-122-7
RTECS NO.: GW0875000
Specification of TMCHONE
Appearance: White Mass
Purity by GLC: >99%
Specific Gravity: 0.86
Solidation Point: 370 C to 57 0 C
Moisture: 0.5 % Max.
FEMA GRAS LIST : 3962
Transportation of TMCHONE
UN No. : Not Regulated
Hazardous Class : Not Regulated
Packing Class: Not Regulated
Packing & Storage
Packing : 50/200 Kgs HMHDPE Open Mouth Drums
Storage : Store in tightly closed container.
Application of TMCHONE
3,3,5 - Trimethylcyclohexanol has strong Menthol like odour.
TMCHONE is also called "HOMOMENTHOL" and used as a substitute for Menthol in Toothpaste, Chewing Gum, Flavouring etc.
Used as an Antispasmodic Drug "Cyclandelate".
Name: 3,3,5-Trimethylcyclohexanol
EINECS: 204-122-7
CAS No.: 116-02-9
Density: 0.879 g/cm3
PSA: 20.23000
LogP: 2.19350
Solubility: 1.8 g/L (20 °C) in water
Melting Point: 30-32 °C
Formula: C9H18O
Boiling Point: 187.655 °C at 760 mmHg
Molecular Weight: 142.241
Flash Point: 73.201 °C
Transport Information: N/A
Appearance: White crystalline mass
IDENTITY
CAS Number: 116-02-9
MDL Number: MFCD00019378
MF: C9H18O
MW: 142.24
EINECS: 204-122-7
SPECIFICATIONS & PROPERTIES of TMCHONE
Min. Purity Spec: 98% (GC, total)
Physical Form (at 20°C): Liquid
Melting Point: 30-32°C
Boiling Point: 193-196°C
Flash Point: 81°C
Long-Term Storage: Store long-term in a cool, dry place
Name: 3,3,5-trimethylcyclohexanol (TMC)
CAS No.: 116-02-9
EINECS: 204-122-7
MF: C9H18O
MW: 142.24 g/mol
Purity: 97% Min.
Appearance: White crystals or colorless liquid
Application: Syntheses Materials Intermediates
Synonyms of TMCHONE
3,3,5-TRIMETHYLCYCLOHEXANONE
873-94-9
3,3,5-Trimethylcyclohexan-1-one
Dihydroisophorone
Cyclohexanone, 3,3,5-trimethyl-
3,3,5-Trimethyl cyclohexanone
Dihydro-isophorone
EINECS 212-855-9
3,5,5-trimethyl cyclohexanone
3,5,5-Trimethylcyclohexanone
AI3-33978
EC 212-855-9
DSSTox_CID_24996
DSSTox_RID_80641
DSSTox_GSID_44996
SCHEMBL24862
3.3.5-Trimethyl cyclohexanone
CHEMBL3186483
DTXSID5044996
3,3,5-trimethyl-cyclohexan-1-one
Tox21_301727
3832AC
BBL011400
MFCD00019466
STL146504
3,3,5-Trimethylcyclohexanone, 98%
AKOS000119271
AKOS016844138
AT10301
LS41328
MCULE-9871375617
NCGC00256179-01
CAS-873-94-9
VS-02938
DB-056998FT-0614017
T0602
Q27287551
F0001-2174
Z1250132596
Name(s): 3,3,5-Trimethyl-cyclohexanol
3,3,5-trimethylcyclohexanol
Cyclohexanol, 3,3,5-trimethyl-
Cyclonol
Homomenthol
Isophorol, dihydro-
TMC
3,3,5-Trimethyl-1-cyclohexanol
3,3,5-Trimethylcyclohexanol, cis/trans
3,3,5-Trimethylcyclohexanol, mixture of cis and trans
3,3,5-Trimethylcyclohexanol, cis/trans Gemisch
Dihydroisophorol
3,3,5-Trimethylcyclohexanol Isomerengemisch cis/trans
3,3,5-Trimethylcyclohexanol, cis/trans-Isomerengemisch
3,3,5-Trimethylcyclohexanol (Gemisch der cis- und trans-Isomeren)
3,3,5-Trimethylcyclohexan-1-ol
