logo
Home Associations Categories Industry news Contact us
;

citronellyl isovalerate

flavor and fragrance agents
2D:
3D:
CAS Number: 68922-10-1
ECHA EC Number: 272-982-0
FDA UNII: Search
CoE Number: 455
Category: flavor and fragrance agents
IUPAC Name: citronellyl isovalerate
InChI : InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
Std.InChI: InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
InChIKey : WZTNQQJXPYEGAF-UHFFFAOYAG
Std.InChIKey: WZTNQQJXPYEGAF-UHFFFAOYSA-N
SMILES : CC(C)CC(=O)OCCC(C)CCC=C(C)C
Molar Refractivity : 73.13 ± 0.3 cm3 (est)
Parachor : 631.8 ± 4.0 cm3 (est)
Index of Refraction : 1.446 ± 0.02 (est)
Surface Tension : 28.3 ± 3.0 dyne/cm (est)
Density : 0.877 ± 0.06 g/cm3 (est)
Polarizability : 28.99 ± 0.5 10-24cm3 (est)

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
DG SANTE Food Flavourings:09.460 citronellyl isovalerate

Physical Properties:

Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88000 to 0.89000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.322 to 7.406
Refractive Index:1.44300 to 1.45300 @ 20.00 °C.
Boiling Point: 237.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 5.578 (est)
Soluble in:
alcohol
water, 0.2171 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
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:

honey rose herbal chamomile currant-black-currant apple

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: perfuming agents

Suppliers:

Augustus Oils
Citronellyl Iso Valerate
Services
BOC Sciences
For experimental / research use only.
Citronellyl Isovalerate
Grau Aromatics
CITRONELLYL-iso-VALERATE
NI, Kosher
Lluch Essence
CITRONELLYL ISOVALERATE
Naturamole
citronellyl isovalerate 98% natural EU
Penta International
CITRONELLYL ISOVALERATE
SRS Aromatics
CITRONELLYL ISO VALERATE
Synerzine
Citronellyl Iso-valerate

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for citronellyl isovalerate usage levels up to:
3.0000 % in the fragrance concentrate.

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):68922-10-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :111440
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-6-enyl 3-methylbutanoate
Chemidplus:0068922101

References:

3,7-dimethyloct-6-enyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68922-10-1
Pubchem (cid):111440
Pubchem (sid):135068413
Pherobase:View

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB38954
FooDB:FDB018437
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Potential Blenders and core components :

For Odor
animal
para-
cresyl phenyl acetate
FL/FR
citrus
lemon balm fragrance
FR
melissa oil replacer
FR
lemon scented
tea tree oil
FR
floral
iso
amyl angelate
FL/FR
benzyl phenyl acetate
FL/FR
cassis buteneone
FR
cassis oxime 10%
FR
citronellyl phenyl acetate
FL/FR
citronellyl valerate
FL/FR
citrus propanol
FR
delta-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
dihydroisojasmonate methyl ester
FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
ethyl safranate
FR
genet concrete
FR
geranium oil morocco
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
linalyl phenyl acetate
FL/FR
neryl formate
FL/FR
neryl phenyl acetate
FR
octyl isovalerate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
rosa alba flower oil CO2 extract
FR
rose carboxylate
FR
fruity
artemisia pallens herb oil
FL/FR
benzyl isovalerate
FL/FR
(E)-beta-
damascenone
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
eriocephalus punctulatus flower oil
FR
geranyl 2-methyl butyrate
FL/FR
green acetate
FR
heptyl butyrate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu mercaptan acetate
FL/FR
chamomile isobutyrate
FR
chamomile octenone
FR
chamomile propionate
FR
chamomile valerate
FR
2,10-
epoxypinane
FR
geranic oxide
FL/FR
geranium concrete
FL/FR
geranyl octanoate
FL/FR
herbal acetal
FR
juniper carboxaldehyde
FR
levisticum officinale root absolute
FL/FR
melaleuca leucadendron cajaputi oil
FL/FR
methyl ortho-anisate
FL/FR
3-
octyl acetate
FL/FR
rosemary oil CO2 extract
FL/FR
tagete oil india
FL/FR
honey
butyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
mentholic
laevo-
menthyl acetate
FL/FR
minty
diosphenol
FL/FR
powdery
dibenzyl ketone
FL/FR
spicy
cubeb oil
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl phenyl acetate
FL/FR
gingergrass oil
FR
levisticum officinale root oil
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
waxy acetate
FR
woody
cistus twig/leaf oil
FL/FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
citronellyl valerate
FL/FR
(E)-beta-
damascenone
FL/FR
(Z)-alpha-
damascone
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl octanoate
FL/FR
linalyl phenyl acetate
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl ortho-anisate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
beta-
damascone
FL/FR
bitter
bitter
dibenzyl ketone
FL/FR
camphoreous
geranic oxide
FL/FR
floral
citronellyl phenyl acetate
FL/FR
geranium oil morocco
FL/FR
geranyl phenyl acetate
FL/FR
fruity
artemisia pallens herb oil
FL/FR
benzyl isovalerate
FL/FR
buchu mercaptan acetate
FL/FR
(E)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
neryl formate
FL/FR
green
iso
amyl formate
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
3-
octyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
geranium concrete
FL/FR
melaleuca leucadendron cajaputi oil
FL/FR
rosemary oil CO2 extract
FL/FR
tagete oil india
FL/FR
honey
benzyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
minty
diosphenol
FL/FR
laevo-
menthyl acetate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
spicy
cubeb oil
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl phenyl acetate
FL/FR
levisticum officinale root absolute
FL/FR
levisticum officinale root oil
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
waxy
geranyl propionate
FL/FR
woody
cistus twig/leaf oil
FL/FR
delta-
damascone
FL/FR

Potential Uses:

FRapple
FRchamomile
FRcurrant black currant
FRdate
FLgrenadine
FRhoney
FRmelon
FRorange blossom
FRorchid
FRpatchouli
FRquince
FRrose
FRrose moss rose

Occurrence (nature, food, other):

valerian root oil @ 0.2-2.1%
Data GC Search Trop Picture

Synonyms:

butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester
butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
citronellyl iso valerinate
citronellyl iso-valerate
citronellyl isovalerate
citronellyl-iso-valerate
dihydrogeranyl isovalerate
(1)-3,7-dimethyl oct-6-enyl isovalerate
3,7-dimethyl oct-6-enyl isovalerate
3,7-dimethyl-6-octen-1-yl 3-methyl butanoate
3,7-dimethyl-6-octen-1-yl 3-methylbutanoate
3,7-dimethyloct-6-en-1-yl 3-methylbutanoate
3,7-dimethyloct-6-enyl 3-methylbutanoate
(1)-3,7-dimethyloct-6-enyl isovalerate
3,7-dimethyloct-6-enyl isovalerate
3-methyl butanoic acid 3,7-dimethyl-6-octenyl ester

Articles:

PubMed:Diurnal Variation of Essential of the Oil Components of Pycnocycla spinosa Decne. ex Boiss.
PubMed:Biochemical characterization of isovaleryl-CoA dehydrogenase (LiuA) of Pseudomonas aeruginosa and the importance of liu genes fora functional catabolic pathway of methyl-branched compounds.
PubMed:Biochemical characterization of AtuD from Pseudomonas aeruginosa, the first member of a new subgroup of acyl-CoA dehydrogenases with specificity for citronellyl-CoA.
CONTENTS
EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles
Copyright © 2023 All Rights Reserved