citronellyl phenyl acetate

3,7-dimethyl-6-octenyl phenylacetate

CAS: 139-70-8 C18 H26 O2 MW: 274.40362000 floral floral

Identification

Namecitronellyl phenyl acetate
IUPAC3,7-dimethyloct-6-enyl 2-phenylacetate
CAS Number139-70-8
EINECS205-373-5
FDA UNIIHH43UJ4D76
Molecular FormulaC18 H26 O2
Molecular Weight274.40362000
Nikkaji NumberJ74.799H
CoE Number2157

Regulatory

JECFA Food Flavoring1021 citronellyl phenylacetate
DG SANTE Food Flavourings09.785 citronellyl phenylacetate
FEMA Number2315
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)139-70-8 ; CITRONELLYL PHENYLACETATE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.99200 @ 25.00 °C., 0.95800 to 0.96000 @ 25.00 °C.
Pounds per Gallon - est. 7.972 to 7.988
Refractive Index 1.49100 to 1.50100 @ 20.00 °C.
Boiling Point 342.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Flash Point > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w) 5.840 (est)
Soluble in alcohol
Insoluble in water
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium
Substantivity 192 hour(s) at 100.00 %
Odor Description
at 100.00 %.
SWEET, ROSY, FLORAL, HONEY, WAXY
fresh aromatic; somewhat honey-like
SWEET, ROSY, FLORAL, HONEY, WAXY
Odor sample from Nickstadt Moeller, Inc.
Taste Description sweet floral rose honey waxy

Safety Information

Human Experience4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
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 phenyl acetate usage levels up to5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)2.00 (μg/capita/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-

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Potential Uses

blossom FL chocolate cocoa FR honey FR honeysuckle FR narcissus FR neroli FR orange blossom FR rose

Natural Occurrence

not found in nature

Synonyms

acetic acid, phenyl-, 3,7-dimethyl-6-octenyl ester benzene acetic acid 3,7-dimethyl-6-octenyl ester benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester benzeneacetic acid, 3,7-dimethyl-6-octenyl ester citronellyl a-toluate citronellyl alpha-toluate citronellyl phenyl acetate S citronellyl phenylacetate 3,7- dimethyl-6-octen-1-yl phenyl acetate 3,7- dimethyl-6-octen-1-yl phenylacetate 3,7- dimethyl-6-octenyl benzene acetate 3,7- dimethyl-6-octenyl benzeneacetate 3,7- dimethyl-6-octenyl phenylacetate 3,7- dimethyloct-6-en-1-yl phenylacetate 3,7- dimethyloct-6-enyl 2-phenylacetate 3,7- dimethyloct-6-enyl phenylacetate phenyl acetic acid 3,7-dimethyl-6-octenyl ester Try the PubMed Search.