linalyl valerate
pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
 
Notes:
Flavouring compound [Flavornet]
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
      Email: Marketing
      US Email: Marketing
      Email: Sales
      US Email: Sales
      Voice: 1-631-504-6093
      Fax: 1-631-614-7828
      US Voice: 1-631-504-6093
      US Fax: 1-631-614-7828
      Europe44-203-286-1088
      Facebook
      Twitter
      Linkedin
      Blog
      Get the App!
      Product(s):
      10471-96-2 1,5-Dimethyl-1-vinylhex-4-enyl valerate
       
  • CSA
Synonyms   Articles   Notes   Search
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
Synonyms   Articles   Notes   Search   Top
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 mmHg @ 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
Synonyms   Articles   Notes   Search   Top
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).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
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 CSA
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(Z)-8-tetradecenalFL/FR
balsamic
isobornyl propionateFL/FR
2-dodecanoneFL/FR
fatty
3-decen-2-oneFL/FR
floral
 citronellyl acetateFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
 methyl citronellateFL/FR
fruity
 allyl propionateFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 apricot isobutyrateFR
 benzyl heptanoateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
2,2-dimethyl-6,8-nonadien-3-ol 
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 linalyl isobutyrateFL/FR
 methyl acetoacetateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
(E)-2-undecenalFL/FR
green
 butyl heptanoateFL/FR
 green carboxylateFR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
herbal
 lavender absolute franceFL/FR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
1-octen-3-yl acetateFL/FR
waxy
3-decanoneFL/FR
 ethyl decanoateFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 benzyl heptanoateFL/FR
 cyclohexyl butyrateFL/FR
3-decanoneFL/FR
2,2-dimethyl-6,8-nonadien-3-ol 
 geranyl 2-methyl butyrateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexenal diethyl acetalFL/FR
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenal dimethyl acetal 
 methyl acetoacetateFL/FR
 nonyl isovalerateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
(Z)-8-tetradecenalFL/FR
alliaceous
 allyl propionateFL/FR
balsamic
isobornyl propionateFL/FR
citrus
 dehydronootkatoneFL
ethereal
 methyl hexyl etherFL/FR
fatty
2-dodecanoneFL/FR
floral
 citronellyl acetateFL/FR
 linalyl isobutyrateFL/FR
 methyl citronellateFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 propyl butyrateFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl isovalerateFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
1-octen-3-yl acetateFL/FR
(E)-2-pentenalFL/FR
herbal
 lavender absolute franceFL/FR
waxy
 ethyl decanoateFL/FR
 propyl heptanoateFL/FR
(E)-2-undecenalFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 apricotFR
 lavenderFR
 pineFR
 sassafrasFR
 tobaccoFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 artemisia molinieri
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2020 Perflavory ™ Disclaimer Privacy Policy