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hexyl laurate
dodecanoic acid, hexyl ester

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CAS Number: 34316-64-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-932-1
FDA UNII:4CG9F9W01Q
Nikkaji Web:J115.173H
XlogP3-AA:7.60 (est)
Molecular Weight:284.48332000
Formula:C18 H36 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
FLAVIS Number:09.579 (Old)
DG SANTE Food Flavourings:09.579 hexyl dodecanoate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85555 to 0.86000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.119 to 7.156
Refractive Index:1.43600 to 1.44200 @ 20.00 °C.
Boiling Point: 332.00 to 334.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000126 mm/Hg @ 25.00 °C. (est)
Flash Point: 317.00 °F. TCC ( 158.33 °C. )
logP (o/w): 7.918 (est)
Soluble in:
 alcohol
 water, 0.00371 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
benzyl laurate
amyl laurate
isoamyl laurate
butyl laurate
citronellyl laurate
para-cresyl laurate
decyl laurate
ethyl laurate
2-methyl butyl laurate
methyl laurate
nonyl laurate
octyl laurate
propyl laurate
isopropyl laurate
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: emollients
solvents
viscosity controlling agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Hexyl Laurate
Kraft Chemical
Hexyl Laurate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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
Recommendation for hexyl laurate usage levels up to:
  15.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
Cancer Citations:Search
EPA Substance Registry Services (TSCA):34316-64-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :94454
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
hexyl dodecanoate
Chemidplus:0034316648
 
References:
 hexyl dodecanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34316-64-8
Pubchem (cid):94454
Pubchem (sid):135051290
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Household Products:Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 emollients
 solvents
 viscosity controlling agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cetiol A
 crodamol HL-R
 dodecanoic acid hexyl ester
 dodecanoic acid, hexyl ester
 hexyl dodecanoate
 KAK-HL
 standamul CTA
 

Articles:

PubMed:n-Hexyl laurate and fourteen related fatty acid esters: new secretory compounds from the julid millipede, Anaulaciulus sp.
PubMed:Optimal formation of hexyl laurate by Lipozyme IM-77 in solvent-free system.
PubMed:Studies of in vitro skin permeation and retention of a leukotriene antagonist from topical vehicles with a hairless guinea pig model.
PubMed:Hydrolysis of an aliphatic monoester in emulsion by swine pancreas lipase: influence of interfacial bile salts molecules upon reaction rate.
 
Notes:
None found
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