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

citronellyl valerate
3,7-dimethyl-6-octen-1-yl pentanoate

Sponsors

Name:3,7-dimethyloct-6-enyl pentanoate
CAS Number: 7540-53-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:231-416-2
FDA UNII:43TPH8V20B
Nikkaji Web:J184.198J
MDL:MFCD00036548
CoE Number:469
XlogP3-AA:5.10 (est)
Molecular Weight:240.38656000
Formula:C15 H28 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 85%; secondary component 10-12% rhodinol. (JECFA) R- or S-enantiomer not specified by CASrn in Register.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:69 citronellyl valerate
FLAVIS Number:09.151 (Old)
DG SANTE Food Flavourings:09.151 citronellyl valerate
FEMA Number:2317 citronellyl valerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: CITRONELLYL VALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.87200 to 0.88100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.256 to 7.331
Refractive Index:1.44200 to 1.45000 @ 20.00 °C.
Boiling Point: 237.00 to 240.00 °C. @ 760.00 mm Hg
Boiling Point: 195.00 °C. @ 31.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 5.733 (est)
Soluble in:
 alcohol
 water, 0.1879 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 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 valerate
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: floral
Odor Strength:medium
rose herbal honey
Odor Description:at 100.00 %. rose herbal honey
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
CITRONELLYL VALERATE
Odor Description:A rosey herbaceous honey-like aroma
Used as a modifier in fragrances.
Taste Description:floral
Used in raspberry, herbal, honey flavors
SRS Aromatics
CITRONELLYL VALERATE
Odor Description:Rose, Herbal, Honey
 
Cosmetic Information:
None found
 
Suppliers:
Augustus Oils
Citronellyl Valerate
Services
Bedoukian Research
CITRONELLYL VALERATE
Odor: A rosey herbaceous honey-like aroma
Use: Used as a modifier in fragrances.
Flavor: floral
Used in raspberry, herbal, honey flavors
BOC Sciences
For experimental / research use only.
Citronellyl Valerate
CG Herbals
Citronellyl Valerate
ECSA Chemicals
Citronellyl Valerianate
Company Profile
Grau Aromatics
CITRONELLYL-VALERATE
NI, Kosher
Penta International
CITRONELLYL VALERATE, Kosher
Silverline Chemicals
Citronellyl Valerate
SRS Aromatics
CITRONELLYL VALERATE
Odor: Rose, Herbal, Honey
Synerzine
Citronellyl Valerate
 
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 citronellyl valerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -7.70000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.50000
fruit ices: -2.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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

EPI System: View
EPA Substance Registry Services (TSCA):7540-53-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61416
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,7-dimethyloct-6-enyl pentanoate
Chemidplus:0007540536
 
References:
 3,7-dimethyloct-6-enyl pentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7540-53-6
Pubchem (cid):61416
Pubchem (sid):135019029
Flavornet:7540-53-6
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37229
FooDB:FDB016236
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
animal
iso
butyl quinoline
FR
para-
cresyl phenyl acetate
FL/FR
balsamic
cinnamyl formate
FL/FR
citrus
lemon scented
tea tree oil
FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
cassis oxime 10%
FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
citrus propanol
FR
dihydroisojasmonate methyl ester
FR
dihydrorose oxide
FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
ethyl safranate
FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
geranium oil morocco
FL/FR
geranyl phenyl acetate
FL/FR
linalyl phenyl acetate
FL/FR
linden flower absolute
FR
neryl formate
FL/FR
octyl isovalerate
FL/FR
2-
pentyl cyclopentanone
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl phenyl acetate
FL/FR
iso
phytol
FL/FR
rose carboxylate
FR
rose pyran
FR
fruity
allyl phenoxyacetate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
geranyl isovalerate
FL/FR
green acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
tropical indene
FR
green
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-sec-
butyl thiazole
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
hexanal dimethyl acetal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl hexanoate
FL/FR
english
ivy leaf absolute
FR
marigold pot flower
CS
2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
rosa damascena leaf absolute
FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anthemis nobilis flower oil roman
FL/FR
artemisyl ketone
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
american
elder flower absolute
FR
geranium concrete
FL/FR
geranyl octanoate
FL/FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
herbal heptane
FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
nonisyl formate
FR
1-
octen-3-yl acetate
FL/FR
perillaldehyde
FL/FR
reseda absolute
FR
tagete oil CO2 extract
FL/FR
tagete oil india
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
theaspirane
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
honey
butyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
mentholic
laevo-
menthyl acetate
FL/FR
minty
(-)-iso
pulegol
FL/FR
mossy
treemoss absolute
FR
phenolic
2'-
hydroxyacetophenone
FL/FR
spicy
iso
butyl angelate
FL/FR
carnation absolute
FR
cinnamyl isovalerate
FL/FR
cubeb oil
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
iso
cyclogeraniol (IFF)
FR
gingergrass oil
FL/FR
waxy
waxy acetate
FR
woody
cinnamyl tiglate
FL/FR
lariciu
pine needle oil
FR
verdoxan
FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
artemisyl ketone
FL/FR
iso
butyl heptanoate
FL/FR
2-sec-
butyl thiazole
FL/FR
4-
butyl thiazole
FL
cinnamyl tiglate
FL/FR
citronellyl isovalerate
FL/FR
9-
decen-2-one
FL
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl hydrocinnamate
FL/FR
fig leaf absolute
FL
geranyl octanoate
FL/FR
(E,E)-2,4-
hexadien-1-ol
FL
hexanal dimethyl acetal
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
linalyl formate
FL/FR
linalyl phenyl acetate
FL/FR
methyl 3-hydroxybutyrate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
octyl isovalerate
FL/FR
2-
pentenal
FL/FR
phenethyl furoate
FL/FR
2-
propyl thiazole
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
viridiflorol
FL/FR
beta-
damascone
FL/FR
cooling
cooling
theaspirane
FL/FR
estery
ethyl acetoacetate
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
citronellyl phenyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
geranium oil morocco
FL/FR
geranyl phenyl acetate
FL/FR
phenethyl alcohol
FL/FR
fruity
allyl phenoxyacetate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
cinnamyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
neryl formate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
green
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
dibutyl sulfide
FL/FR
geranyl isovalerate
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl (E)-tiglate
FL/FR
4-
methyl-2-pentenal
FL
1-
octen-3-yl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
geranium concrete
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
tagete oil india
FL/FR
honey
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
minty
laevo-
menthyl acetate
FL/FR
(-)-iso
pulegol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
oily
iso
phytol
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
cubeb oil
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
gingergrass oil
FL/FR
perillaldehyde
FL/FR
 
Potential Uses:
FRherbal
FRhoney
FRraspberry
FRrose
FRtobacco
 
Occurrence (nature, food, other):note
 boronia citriodora
Search Trop Picture
 turmeric root oil CO2 extract @ 2.94%
Data GC Search Trop Picture
 
Synonyms:
 citronellyl pentanoate
 citronellyl valerianate
 citronellyl-valerate
3,7-dimethyl-6-octen-1-yl pentanoate
3,7-dimethyl-6-octen-1-yl valerate
3,7-dimethyloct-6-en-1-yl pentanoate
3,7-dimethyloct-6-en-1-yl valerate
3,7-dimethyloct-6-enyl pentanoate
3,7-dimethyloct-6-enyl valerate
 pentanoic acid 3,7-dimethyl-6-octenyl ester
 pentanoic acid citronellyl ester
 pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
 pentanoic acid, 3,7-dimethyl-6-octenyl ester
 valeric acid 3,7-dimethyl-6-octen-1-yl ester
 valeric acid, 3,7-dimethyl-6-octen-1-yl ester
 
 
Notes:
Flavouring ingredient. Constit. of Boronia citriodora essence
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