4-(1-Methylvinyl)cyclohex-1-en-1-methylacetat

Perillyl acetate

HCID 61780CAS 15111-96-3
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Grundinformationen

Standard-SMILES
C=C(C)C1CC=C(COC(C)=O)CC1
InChIKey
WTXBCFKGCNWPLS-UHFFFAOYSA-N
Summenformel
C12H18O2
Durchschnittliche Molmasse
194,27 g/mol
Monoisotopische Masse
194,13067982

Überblick

Perillyl acetate has been reported in Leonurus japonicus, Citrus iyo, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name
Perillyl acetate
IUPAC
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate
Lokaler Name
4-(1-Methylvinyl)cyclohex-1-en-1-methylacetat
Englischer Name
Dihydro cuminyl acetate
Summenformel
C12H18O2
Molmasse
194.27

Namen und Synonyme

Perillyl acetatePerilla acetatep-Mentha-1,8-dien-7-yl acetate1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate(4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate1,8-P-Menthadien-7-yl acetateEINECS 239-162-44-(1-Methylvinyl)cyclohex-1-ene-1-methyl acetate4-Isopropenyl-1-cyclohexene carbinyl acetateUNII-7P95D01XYJ7P95D01XYJ4-(1-Methylethenyl)-1-cyclohexene-1-methyl acetate
Weitere Namen anzeigen
Perillylacetatel-perillyl acetate(S)-PERILLYL ACETATEDihydro cuminyl acetatep-Mentha-1,8-dien-7-ylacetatep-Mentha-1,8-dien-7-ol,acetatePARA-MENTHA-1,8-DIEN-7-YLACETATE(4-Isopropenyl-1-cyclohexenyl)methanol acetate
Perilla alcohol, acetate(4-Isopropenyl-1-cyclohexen-1-yl)methyl acetate[4-(PROP-1-EN-2-YL)CYCLOHEX-1-EN-1-YL]METHYL ACETATE1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, 1-acetateDTXSID4051740FEMA 3561Cyclohex-1-ene-1-methanol-4-(1-methylethenyl)-acetateP-MENTHA-1,8-DIEN-7-YL ACETATE [FHFI]

Datenbank-Bezeichner

CAS
15111-96-3
PubChem CID
61780
DTXSID
DTXSID4051740
UNII
7P95D01XYJ
EC Number
239-162-4
Nikkaji
J241.400G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (p-Mentha-1,8-dien-7-yl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.972-0.980
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

very slightly

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Boiling Point · 2 Einträge

218.00 to 223.00 °C. @ 760.00 mm Hg

218-223 °C

Physikochemische Eigenschaften

Siedepunkt
123 · 123-126 °C(Press: 13 Torr)
Dichte
0.9785 g/cm3 · 0.9785 g/cm3
FEMA
3561 · 3561 | P-MENTHA-1,8-DIEN-7-YL ACETATE
Wichte
0.985 · 0.985
Geruch (Odor)
100 % · at 100.00 %. fruity dried fruit phenolic green geranium woody spicy herbal floral
Geruchsart
fruity

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (116 of 116) of all reports.

Not Classified

Aggregated GHS information provided per 116 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use Classification · 6 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, 1-acetate: ACTIVE

Anwendungen

OccurrenceReported present in tangerine, orange, bitter orange and lemon peel oils, bergamot oil and grapefruit juice.

Anbieter10 Anbieter

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565

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