citronellyl isovalerate

3,7-dimethyl-6-octen-1-yl 3-methylbutanoate

CAS: 68922-10-1 C15 H28 O2 MW: 240.38656000 floral

Identification

Namecitronellyl isovalerate
IUPAC3,7-dimethyloct-6-enyl 3-methylbutanoate
CAS Number68922-10-1
EINECS272-982-0
FDA UNIISearch
Molecular FormulaC15 H28 O2
Molecular Weight240.38656000
Nikkaji NumberJ46.678F
CoE Number455

Regulatory

DG SANTE Food Flavourings09.460 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
Insoluble in water
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for citronellyl isovalerate usage levels up to3.0000 % in the fragrance concentrate.

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Potential Uses

FR apple FR chamomile FR currant black currant FR date FL grenadine FR honey FR melon FR orange blossom FR orchid FR patchouli FR quince FR rose FR rose moss rose

Natural Occurrence

valerian root oil @ 0.2-2.1% Data

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 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.