4-isopropyl-2-cyclohexenone

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4-propan-2-ylcyclohex-2-en-1-one

CAS: 500-02-7 C9 H14 O MW: 138.20978000 spicy

Identification

Name4-isopropyl-2-cyclohexenone
IUPAC4-propan-2-ylcyclohex-2-en-1-one
CAS Number500-02-7
EINECS207-898-5
FDA UNII0U8E4W4GBB
Molecular FormulaC9 H14 O
Molecular Weight138.20978000
Nikkaji NumberJ11.669F
CoE Number11127

Regulatory

JECFA Food Flavoring1110 4-isopropyl-2-cyclohexenone
DG SANTE Food Flavourings07.172 4-isopropylcyclohex-2-en-1-one
FEMA Number3939
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)500-02-7 ; ISOPROPYL-2-CYCLOHEXENONE

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.93000 to 0.95000 @ 25.00 °C.
Pounds per Gallon - (est). 7.739 to 7.905
Refractive Index 1.48100 to 1.49000 @ 20.00 °C.
Boiling Point 198.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.213000 mmHg @ 25.00 °C. (est)
Flash Point 189.00 °F. TCC ( 87.22 °C. )
logP (o/w) 1.589 (est)
Soluble in alcohol
Insoluble in water

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 4-isopropyl-2-cyclohexenone usage levels up to1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.001 (μg/capita/day)
Structure ClassII
baked goods0.15000
beverages(nonalcoholic)0.05000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy0.05000
fruit ices-
gelatins / puddings0.05000
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 candy0.10000
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FR costus FR herbal FR lavender FR mint FR pepper FR spice FR woody

Natural Occurrence

cumin seed cymbopogon giganteus chiov. leaf oil @ 0.80% Data eucalyptus camaldulensis dehn. leaf oil jerusalem @ 6.90% Data eucalyptus camaldulensis dehnh. leaf oil ethiopia @ 15.50% Data eucalyptus deaneti maiden leaf oil ethiopia @ 17.60% Data eucalyptus globulus bud oil @ 0.11% Data eucalyptus globulus fruit oil @ 0.13% Data eucalyptus globulus oil pakistan @ 8.60% Data eucalyptus saligna smith leaf oil ethiopia @ 4.10% Data hyssop shoot laurel leaf oil turkey @ trace% Data lavandin oil abrialis @ 0.05% Data lavandin water (lavandula hydrida) @ 0.10% Data lavender lavender oil spike france @ 0.07% Data levisticum officinale flower oil @ 0.44% Data levisticum officinale seed oil @ 0.80% Data mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.10% Data parsley leaf pepper PMC pepper black pepper fruit pepper black pepper fruit oil pepper black pepper oil peppermint leaf prangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.60% Data

Synonyms

cryptone 2- cyclohexen-1-one, 4-(1-methylethyl)- 2- cyclohexen-1-one, 4-isopropyl- dextro,laevo- kryptone DL- kryptone 4-(1- methyl ethyl)-2-cyclohexen-1-one 4-(1- methyl ethyl)-4-isopropyl cyclohex-2-enone-2-cyclohexenone 4-(1- methylethyl)-2-cyclohexen-1-one 4-(1- methylethyl)-4-isopropylcyclohex-2-enone-2-cyclohexenone 4-( propan-2-yl)cyclohex-2-en-1-one 4- propan-2-ylcyclohex-2-en-1-one 4-iso propyl cyclohex-2-en-1-one 4-iso- propyl-2-cyclohexenone 4-iso propylcyclohex-2-en-1-one Try the PubMed Search.