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UNDECANOL

CAS Number: 112-42-5
EC Number: 203-970-5
Chemical Formula: CH₃(CH₂)₁₀OH
Molar Mass: 172.31 g/mol

Undecanol, also known by its IUPAC name 1-undecanol or undecan-1-ol, and by its trivial names undecyl alcohol, is a fatty alcohol. 
Undecanol is a colorless, water-insoluble liquid of melting point 19 °C and boiling point 243 °C.

Undecanol, also known as 1-Undecanol, is a fatty alcohol which can be found in foods like fruits, eggs, and cooked pork. 
Ungraded products supplied by TCI America are generally suitable for common industrial uses or for research purposes but typically are not suitable for human consumption or therapeutic use.

Undecanol, also known as N-undecyl alcohol or undecan-1-ol, belongs to the class of organic compounds known as fatty alcohols. 
These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 

Thus, Undecanol is considered to be a fatty alcohol lipid molecule. 
Undecanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 

Undecanol is a colorless, water-insoluble liquid. 
Undecanol has a floral citrus like odor, and a fatty taste and is used as a flavoring ingredient in foods. 

Undecanol can be found in fruits including apples and bananas. 
Undecanol is commonly produced by the reduction of 1-undecanal, the analogous aldehyde.

Undecanol, being an organic chemical with molecular formula C11H24O and scented with lemon, is a colorless or pale yellow , water insoluble but alcohol and ether soluble liquid. 
Undecanol is prepared from metal sodium reduction of Ethyl undecanoate, or pressurization and catalytic hydrogenation of ethyl ω- undecanoate , or even obtained by the Grignard reaction of nonyl magnesium bromide and with ethylene oxide. 

The application of Undecanol is limited. 
Undecanol is only used for some typical aroma oil and fragrance as the fat is solid at low temperature. 

The citrus rose type and the like only play a secondary and harmonious role and are taken as deodorant. 
In addition, Undecanol is also used to manufacture spices with the scent of acacia, polianthes tuberosa and the like.

Applications of Undecanol:
Undecanol can be used as a precursor in the synthesis of undecanal by chemoselective oxidation using a fluorous derivative of TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl) radical as a catalyst.
Undecanol can be also used as a solvent in homogeneous liquid-liquid microextraction method.

Uses of Undecanol:
Although this Undecanol is among the common varieties, but Undecanol is still not widely used. 
Undecanol is often used together with undecylenic aldenyde or other fat and aldehydes as the integrator of fragrant volatile of aldehyde. 

Also Undecanol can be well integrated with floral fragrance, citrus cologne, acacia, robinia pseudoacacia, tuberose, violets, clean and grass smell, usually used for rose base. 
Few application is also available in such pineapple, orange, lemon, lime, orange , cassis, rose food flavors.

Industrial uses and production of Undecanol: 
Undecanol has a floral citrus like odor, and a fatty taste and is used as a flavoring ingredient in foods. 
Undecanol is commonly produced by the reduction of undecanal, the analogous aldehyde.

Natural occurrence of Undecanol: 
Undecanol is found naturally in many foods such as fruits (including apples and bananas), butter, eggs and cooked pork.

Physical Description of Undecanol:    
Undecanol appears as a water-white liquid with a mild odor. 
Flash point of Undecanol is 250 °F. 

Undecanol is slightly soluble in water. 
Undecanol is considered a marine pollutant by DOT. 

Immediate steps should be taken to limit Undecanols spread to the environment. 
As a liquid Undecanol can easily penetrate the soil and contaminate groundwater or streams. 
Undecanol is mildly irritating to both the eyes and skin.

Chemical Properties of Undecanol:
Undecanol is colorless liquid at room temperature.
Scented with light sweet fat wax mixed with the scent of roses and fruity flavor of citrus, pineapple and the like. 
But generally the whole body smells scent of rose, as if a little bit of rue flavor. 

Undecanol will smell like orange after highly diluted with the soft sweet flavor of citrus fruit oil. 
Undecanols concentration is less than 20 × 10-6 with fruity and sweet scent. 
Unpleasant fat and smell will be produced when the concentration is higher.

Melting point :15 ~ 19 ℃.
Flash point> 82 ℃.
Density: D4250 .828 ~ 0.834.
Refractive index: nD200.4370 ~ 1.4430.
Water insoluble, soluble in most organic solvents, 1: 4.soluble in 60% ethanol.

Preparation of Undecanol:
Undecanol is prepared from undecaethylene reduction. 
Put 200 ml of anhydrous toluene and 70 g of sodium into a 5-liter three-necked flask, and then heat reflux Undecanol until sodium is completely melted. 

Then stop heating, stir quickly to get the sodium to disperse into sand until the temperature drops to 60 ~ C. 
Then put 107 grams of ethyl undecanoate into 150ml absolute ethanol solution followed by adding 500ml of absolute ethanol. 

When the reaction is weakened, heat Undecanol in an oil bath until the sodium is completely dissolved. 
Next remove the ethanol and toluene through the method of steam distillation. 

Then wash the remaining oily substances with 200ml × 3 hot water. 
Then wash ether layer with a sequence of water, sodium carbonate and then water after the ethyl ether was extracted. 

Also dry with magnesium sulfate, boil off the ethyl ether. 
The product will be finally extracted from the residue after reduced pressure distillation.

Storage of Undecanol:
Undecanol be sealed and stored in a cool dry place. 
Undecanol also be kept away from fire.

Toxicity of Undecanol: 
Undecanol can irritate the skin, eyes and lungs. 
Ingestion of Undecanol can be harmful, with the approximate toxicity of ethanol.

Safety Profile of Undecanol:
Moderately toxic by ingestion. 
A skin irritant. 
Combustible liquid. 
Mutation data reported. 
When heated to decomposition Undecanol emits acrid smoke and irritating fumes. 

Identifiers of Undecanol: 
CAS Number: 112-42-5 
CHEBI: 87499 
ChEMBL: ChEMBL444525 
ChemSpider: 7892 
ECHA InfoCard: 100.003.609
PubChem CID: 8184
UNII: 06MJ0P28T3 
CompTox Dashboard (EPA): DTXSID0026915

Properties of Undecanol:
CAS number: 112-42-5
EC number: 203-970-5
Hill Formula: C₁₁H₂₄O
Chemical formula: CH₃(CH₂)₁₀OH
Molar Mass: 172.31 g/mol
HS Code: 2905 19 00
Physical State: Liquid
Storage: Store at 4° C
Melting Point: 11° C (lit.)
Boiling Point: 146° C (lit.) at 30 mmHg
Density: 0.83 g/cm3 at 25° C

Chemical formula: C11H24O
Molar mass: 172.31 g/mol
Appearance: Colorless liquid
Density: 0.8298 g/mL
Melting point: 19 °C (66 °F; 292 K)
Boiling point: 243 °C (469 °F; 516 K)
Solubility in water: Insoluble
Solubility in Ethanol and diethyl ether: Soluble

Molecular Weight: 172.31     
XLogP3: 4.6 
Hydrogen Bond Donor Count: 1     
Hydrogen Bond Acceptor Count: 1     
Rotatable Bond Count: 9     
Exact Mass: 172.182715385     
Monoisotopic Mass: 172.182715385     
Topological Polar Surface Area: 20.2 Ų     
Heavy Atom Count: 12     
Complexity: 71.4     
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    

Melting point: 11 °C (lit.)
Boiling point: 146 °C/30 mmHg (lit.)
Density: 0.83 g/mL at 25 °C (lit.)
vapor pressure: <1 hPa (20 °C)
FEMA: 3097 | UNDECYL ALCOHOL
refractive index: n20/D 1.44(lit.)
Flash point: >230 °F
storage temp.: Store below +30°C.
solubility: 0.0057g/l insoluble
form: Liquid
pka: 15.20±0.10(Predicted)
color: Clear colorless to pale yellow
Odor: Faint alcohol.
Viscosity: 20.03mm2/s
Water Solubility: Not miscible or difficult to mix with water. 
Soluble in chloroform and ethyl acetate.
JECFA Number: 106
BRN: 1698334
Stability: Stable. 
Combustible. 
Incompatible with strong oxidizing agents, strong acids.
LogP: 4.9 at 20℃
CAS DataBase Reference: 112-42-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): UNDECYL ALCOHOL
FDA 21 CFR: 172.515
EWG's Food Scores: 1
FDA UNII: 06MJ0P28T3
EPA Substance Registry System: 1-Undecanol (112-42-5) 

Physicochemical Information of Undecanol: 
Density: 0.83 g/cm3 (20 °C)
Flash point: 108 °C
Melting Point: 16 °C
Vapor pressure: <1 hPa (20 °C)
Viscosity kinematic: 20.03 mm2/s (20 °C)
Solubility: 0.0057 g/l insoluble

Names of Undecanol:

Preferred IUPAC name of Undecanol:
Undecan-1-ol

Other names of Undecanol:
Undecanol
1-Undecanol
Undecyl alcohol
n-Undecan-1-ol
n-Undecanol
n-Undecyl alcohol
Hendecanoic alcohol
Hendecyl alcohol
1-Undecanol
Alcohol c-11
n-Hendecylenic alcohol
Undecanol-(1)
Tip-Nip
Undecanol
Decyl carbinol
Neodol 1
Undecan-1-ol
1-Undecyl alcohol
NSC 403667

Synonyms of Undecanol:
1-Undecanol
1-Undecanol
1-Undecyl alcohol
11-Undecanolactone
Alcohol c-11
Alcohol C11
Decyl carbinol
Dlcohol c-11 undecylic
Fatty alcohol(C11)
Hendecanoic alcohol
Undecanol
Hendecyl alcohol
N-hendecylenic alcohol
n-Undecan-1-ol
N-undecanol
N-undecyl alcohol
Neodol 1
Neoflex 11
Pri-n-undecyl alcohol
Tip-nip
UMQ
UNA
Undecan-1-ol
Undecanol-(1)
undecyl Alcohol
C11 Alcohol
1-UNDECANOL
Undecan-1-ol
Undecyl alcohol
112-42-5
Undecanol
n-Undecanol
1-Undecanol
n-Undecyl alcohol
Hendecanoic alcohol
Hendecyl alcohol
n-Hendecylenic alcohol
Tip-Nip
1-Undecyl alcohol
n-Undecan-1-ol
Decyl carbinol
Alcohol C-11
C11 alcohol
Fatty alcohol(C11)
Neodol 1
Undecanol-(1)
NSC 403667
CHEBI:87499
06MJ0P28T3
DSSTox_CID_6915
DSSTox_RID_78252
DSSTox_GSID_26915
Alcohol, undecyl
CAS-112-42-5
UMQ
UNA
FEMA No. 3097
HENDECANOL
HSDB 1089
EINECS 203-970-5
BRN 1698334
Decane, hydroxymethyl deriv.
UNII-06MJ0P28T3
AI3-00330
Alcohol C11
Neoflex 11
Pri-n-undecyl alcohol
1-Undecanol, 99%
Dlcohol c-11 undecylic
EC 203-970-5
SCHEMBL20655
n-C11H23OH
Undecyl alcohol, 97%, FG
4-01-00-01835 (Beilstein Handbook Reference)
CHEMBL444525
DTXSID0026915
AMY5947
ZINC1596062
Tox21_201585
Tox21_300548
LMFA05000144
MFCD00004751
NSC403667
s9450
STL280304
AKOS009031434
CS-W004292
HY-W004292
NSC-403667
6-(methylamino)pyridin-3-ylboronic?acid
NCGC00164024-01
NCGC00164024-02
NCGC00164024-03
NCGC00254401-01
NCGC00259134-01
1-Undecanol, purum, >=98.0% (GC)
143819-62-9
BP-31088
LS-14031
FT-0608326
U0005
EN300-20041
Q161686
J-002774
F8881-3903
112-42-5 [RN]
1-Undecanol [ACD/Index Name] [ACD/IUPAC Name]
1-Undecanol [German] [ACD/Index Name] [ACD/IUPAC Name]
1-Undécanol [French] [ACD/IUPAC Name]
250-092-3 [EINECS]
30207-98-8 [RN]
MFCD00004751 [MDL number]
undecan-1-ol
Undecanol [Wiki]
Undecyl alcohol
YQ3155000
11-Undecanolactone
143819-62-9 [RN]
1-Undecanol
1-Hydroxyundecane
1-UNDECANOL-D23
1-Undecyl alcohol
349553-88-4 [RN]
4-01-00-01835 (Beilstein Handbook Reference) [Beilstein]
Alcohol, undecyl
bovine albumin
Hendecanoic alcohol
hendecanol
Hendecyl alcohol
methyl butylhexanol
NCGC00164024-01
Neodol 1
Neoflex 11
n-Hendecylenic alcohol
n-Undecan-1-ol
n-Undecanol
N-UNDECYL ALCOHOL
n-Undecyl-d23 Alcohol
Pri-N-undecyl alcohol
pUndecanol
Tip-Ni
Tip-Nip
UMQ
UNA
Undecanol-(1)
UNDECYL-MALTOSIDE
 

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