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3-decanol

flavor and fragrance agents
2D:
3D:
CAS Number: 1565-81-7
ECHA EC Number: 605-062-8
FDA UNII: WTY84QBP4T
CoE Number: 10194
Category: flavor and fragrance agents
IUPAC Name: 3-decanol
InChI : InChI=1/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
Std.InChI: InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey : ICEQLCZWZXUUIJ-UHFFFAOYAU
Std.InChIKey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N
SMILES : CCCCCCCC(CC)O
MDL: MFCD00021956
Molar Refractivity : 49.87 ± 0.3 cm3 (est)
Parachor : 444.1 ± 4.0 cm3 (est)
Index of Refraction : 1.434 ± 0.02 (est)
Surface Tension : 28.9 ± 3.0 dyne/cm (est)
Density : 0.826 ± 0.06 g/cm3 (est)
Polarizability : 19.77 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:295 3-decanol
DG SANTE Food Flavourings:02.103 decan-3-ol
FEMA Number:3605 3-decanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1565-81-7 ; 3-DECANOL

Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82600 to 0.83200 @ 25.00 °C.
Pounds per Gallon - (est).: 6.873 to 6.923
Refractive Index:1.43500 to 1.43900 @ 20.00 °C.
Boiling Point: 211.00 to 212.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.037000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 3.879 (est)
Soluble in:
alcohol
water, 151.8 mg/L @ 25 °C (est)
Insoluble in:
water

Organoleptic Properties:

Cosmetic Information:

None found

Suppliers:

Axsyn
For experimental / research use only.
3-Decanol
BOC Sciences
For experimental / research use only.
3-Decanol
Parchem
3-decanol
Penta International
3-DECANOL
Santa Cruz Biotechnology
For experimental / research use only.
3-Decanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Decanol
TCI AMERICA
For experimental / research use only.
3-Decanol >98.0%(GC)

Safety Information:

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-decanol usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -4.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: -1.00000
hard candy: -2.00000
imitation dairy: -1.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -3.00000
snack foods: --
soft candy: -1.50000
soups: -1.00000
sugar substitutes: --
sweet sauces: -1.00000

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1565-81-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519158
National Institute of Allergy and Infectious Diseases:Data
decan-3-ol
Chemidplus:0001565817

References:

decan-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1565-81-7
Pubchem (cid):519158
Pubchem (sid):135198982
Pherobase:View

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31408
FooDB:FDB003483
Export Tariff Code:2905.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Potential Uses:

FRcologne
FRfungus
truffle

Occurrence (nature, food, other):

crab steamed mangrove crab
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guava fruit
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myrmica lobicornis
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spearmint oil
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wine
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Synonyms:

decan-3-ol
DL-decan-3-ol
(±)-3-decanol
ethyl heptyl carbinol
ethyl N-heptyl carbinol
1-ethyl-1-octanol
heptyl ethyl carbinol
3-hydroxydecane

Articles:

None found yet. Try the PubMed Search.
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