EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

lavandulyl acetate
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate

Supplier Sponsors

Name:(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
CAS Number: 25905-14-0Picture of molecule3D/inchi
Other:50373-59-6
ECHA EINECS - REACH Pre-Reg:247-327-7
FDA UNII:OU6ZF37MOM
Nikkaji Web:J36.845H
Beilstein Number:1725269
MDL:MFCD00216731
XlogP3-AA:3.60 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a).
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:09.612 (Old)
DG SANTE Food Flavourings:09.612 lavandulyl acetate
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90900 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.564 to 7.614
Refractive Index:1.45300 to 1.45900 @ 20.00 °C.
Boiling Point: 228.00 to 229.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.072000 mmHg @ 25.00 °C. (est)
Flash Point: 159.00 °F. TCC ( 70.56 °C. )
logP (o/w): 3.518 (est)
Soluble in:
 alcohol
 water, 6.816 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Acetic acid lavandulyl ester 95%
Diffusions Aromatiques
ACETATE LAVANDULYLE
ExtraSynthese
For experimental / research use only.
(+/-)-Lavandulyl Acetate (GC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
Lavandulyl Acetate ≥96%
Sigma-Aldrich
For experimental / research use only.
(±)-Lavandulyl Acetate analytical standard
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
Recommendation for lavandulyl acetate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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): 2.0000010.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):25905-14-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :30247
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
Chemidplus:0025905140
 
References:
 (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:25905-14-0
Pubchem (cid):30247
Pubchem (sid):134994553
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
Export Tariff Code:2915.39.9050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 artemisia santolina schrenk oil iran @ 9.50%
Data GC Search Trop Picture
 basil oil CO2 sweet @ 0.78%
Data GC Search Trop Picture
 basil oil sweet @ 0.55%
Data GC Search Trop Picture
 bergamot mint oil @ 0.0-1.4%
Data GC Search Trop Picture
 lavandin absolute grosso @ 1.80%
Data GC Search Trop Picture
 lavandin oil abrialis @ 2.64%
Data GC Search Trop Picture
 lavandin oil grosso @ 2.27%
Data GC Search Trop Picture
 lavandula officinalis flower oil @ 2.00%
Data GC Search Trop Picture
 lavender flower oil lithuania @ 5.49%
Data GC Search Trop Picture
 lavender oil france @ 5.46%
Data GC Search Trop Picture
 lavender oil greece @ 16.01%
Data GC Search Trop Picture
 lavender oil spike @ 0.30%
Data GC Search Trop Picture
 lavender stem oil lithuania @ 4.10%
Data GC Search Trop Picture
 lemongrass oil rwanda @ 0.60%
Data GC Search Trop Picture
 otanthus maritimus (l.) hoffmans oil greece @ 0.50%
Data GC Search Trop Picture
 rosemary oil france @ trace-0.54%
Data GC Search Trop Picture
 rosemary oil morocco @ 0.00-0.30%
Data GC Search Trop Picture
 wormseed oil spain @ 0.02%
Data GC Search Trop Picture
 wormwood oil america @ 1.81%
Data GC Search Trop Picture
 yarrow oil hungary @ 4.40%
Data GC Search Trop Picture
 
Synonyms:
3-acetoxymethyl-2,6-dimethyl-1,5-heptadiene
4-hexen-1-ol, 2-isopropenyl-5-methyl-, acetate
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate
 lavandulol acetate
(±)-lavandulol acetate
(±)-lavandulyl acetate
5-methyl-2-(1-methyl ethenyl)-4-hexen-1-ol acetate
5-methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate
(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
2-isopropenyl-5-methyl hex-4-enyl acetate
2-isopropenyl-5-methyl-4-hexen-1-yl acetate
2-isopropenyl-5-methyl-4-hexenyl acetate
2-isopropenyl-5-methylhex-4-enyl acetate
 

Articles:

PubMed:The biosynthetic origin of irregular monoterpenes in Lavandula: isolation and biochemical characterization of a novel cis-prenyl diphosphate synthase gene, lavandulyl diphosphate synthase.
PubMed:Identification of the sex pheromone of the mealybug Dysmicoccus grassii Leonardi.
PubMed:Antimicrobial Activity and Chemical Composition of Essential Oil From the Seeds of Artemisia aucheri Boiss.
PubMed:Differential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 3639.
PubMed:[Studies regarding chemical composition of lavender volatile oils].
PubMed:Role of novel terpenes in transcutaneous permeation of valsartan: effectiveness and mechanism of action.
PubMed:A DFT analysis of thermal decomposition reactions important to natural products.
PubMed:Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.
PubMed:Identification of a male-produced aggregation pheromone in the western flower thrips Frankliniella occidentalis.
PubMed:Enzymatic esterification of lavandulol--a partial kinetic resolution of (S)-lavandulol and preparation of optically enriched (R)-lavandulyl acetate.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy