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citronellyl isovalerate

Chemical Structure

General Material Information

Preferred name citronellyl isovalerate
Trivial Name Citronellyl isovalerate
Short Description 3,7-dimethyl-6-octen-1-yl 3-methylbutanoate
Formula C15 H28 O2
CAS Number 68922-10-1
Flavis Number 9.46
ECHA Number 272-982-0
FDA UNII Search
Nikkaji Number J46.678F
COE Number 455
xLogP3-AA 5.00 (est)
NMR Predictor External link
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-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
  • 3,7-dimethyloct-6-enyl 3-methylbutanoate
  • Isovaleric acid, 3,7-dimethyl-6-octenyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 240.38656616211
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.406
Refractive Index 1.443 to 1.453 @ 20 °C
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 91.11 °C TCC
logP (o/w) 5.578 est
Solubility
alcohol Yes
water, 0.2171 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
honey, rose, herbal, chamomile, currant black currant, apple
General comment At 100.00 %. honey rose herbal chamomile black currant apple

Occurrences

Potential Uses

Applications
Odor purposes Apple, Chamomile, Currant black currant, Date, Honey, Melon, Orange blossom, Orchid, Patchouli, Quince, Rose, Rose moss rose
Flavoring purposes Grenadine
Cosmetic purposes Perfuming agents

Safety Information

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