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linalyl valerate
pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester

Sponsors

Name:3,7-dimethylocta-1,6-dien-3-yl pentanoate
CAS Number: 10471-96-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:233-961-1
Nikkaji Web:J212.411D
CoE Number:10738
XlogP3-AA:4.70 (est)
Molecular Weight:238.37062000
Formula:C15 H26 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate.
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:09.614 (Old)
DG SANTE Food Flavourings:09.614 linalyl valerate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89700 to 0.90300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.464 to 7.514
Refractive Index:1.45000 to 1.45600 @ 20.00 °C.
Boiling Point: 238.00 to 240.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: 173.00 °F. TCC ( 78.33 °C. )
logP (o/w): 5.435 (est)
Soluble in:
 alcohol
 water, 0.2713 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity lavender apricot citrus
Odor Description:at 100.00 %. fruity lavender apricot citrus
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,5-Dimethyl-1-vinylhex-4-enyl valerate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 linalyl valerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.43 (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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):10471-96-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :112045
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethylocta-1,6-dien-3-yl pentanoate
Chemidplus:0010471962
 
References:
 3,7-dimethylocta-1,6-dien-3-yl pentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):112045
Pubchem (sid):135066957
Flavornet:10471-96-2
 
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
FooDB:FDB029741
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(Z)-8-
tetradecenal
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
citrus
2-
dodecanone
FL/FR
fatty
3-
decen-2-one
FL/FR
floral
citronellyl acetate
FL/FR
alpha-
damascone
FL/FR
gamma-
damascone
FR
methyl citronellate
FL/FR
fruity
allyl propionate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
apricot isobutyrate
FR
benzyl heptanoate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl formate
FL/FR
linalyl isobutyrate
FL/FR
methyl acetoacetate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
(E)-2-
undecenal
FL/FR
green
butyl heptanoate
FL/FR
green carboxylate
FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
lavender absolute france
FL/FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
1-
octen-3-yl acetate
FL/FR
waxy
3-
decanone
FL/FR
ethyl decanoate
FL/FR
woody
marine formate
FR
For Flavor
No flavor group found for these
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
benzyl heptanoate
FL/FR
cyclohexyl butyrate
FL/FR
3-
decanone
FL/FR
geranyl 2-methyl butyrate
FL/FR
heptyl 2-methyl butyrate
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
methyl acetoacetate
FL/FR
nonyl isovalerate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
(Z)-8-
tetradecenal
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
balsamic
iso
bornyl propionate
FL/FR
citrus
dehydronootkatone
FL
ethereal
methyl hexyl ether
FL/FR
fatty
2-
dodecanone
FL/FR
floral
citronellyl acetate
FL/FR
linalyl isobutyrate
FL/FR
methyl citronellate
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
propyl butyrate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
1-
octen-3-yl acetate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
lavender absolute france
FL/FR
waxy
ethyl decanoate
FL/FR
propyl heptanoate
FL/FR
(E)-2-
undecenal
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRapricot
FRlavender
FRpine
FRsassafras
FRtobacco
 
Occurrence (nature, food, other):note
 artemisia molinieri
Search Trop Picture
 
Synonyms:
3,7-dimethyl octa-1,6-dien-3-yl pentanoate
1,5-dimethyl-1-vinyl hex-4-enyl valerate
1,5-dimethyl-1-vinylhex-4-enyl valerate
3,7-dimethylocta-1,6-dien-3-yl pentanoate
 linalyl pentanoate
 pentanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester
 pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
 pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
 
 
Notes:
Flavouring compound [Flavornet]
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