기본 정보
- 표준 SMILES
C=C(C)C1CC=C(COC(C)=O)CC1- InChIKey
WTXBCFKGCNWPLS-UHFFFAOYSA-N- 분자식
- C12H18O2
- 평균 분자량
- 194.27 g/mol
- 단동위원소 질량
- 194.13067982
개요
Perillyl acetate has been reported in Leonurus japonicus, Citrus iyo, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Perillyl acetate
- IUPAC
- (4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate
- 현지명
- 디하이드로쿠미닐아세테이트
- 영어명
- Dihydro cuminyl acetate
- 분자식
- C12H18O2
- 분자량
- 194.27
이름 및 동의어
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
이름 더 보기
디하이드로쿠미닐아세테이트Perillylacetatel-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]
데이터베이스 식별자
- CAS
15111-96-3- PubChem CID
- 61780
- DTXSID
DTXSID4051740- UNII
- 7P95D01XYJ
- EC Number
- 239-162-4
- Nikkaji
- J241.400G
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
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
very slightly
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
218.00 to 223.00 °C. @ 760.00 mm Hg
218-223 °C
Refractive Index1.476-1.487
Physical DescriptionAlmost colourless or pale yellowish oily liquid; Warm-herbaceous spicy odour
물리화학적 성질
- 끓는 점
- 123 · 123-126 °C(Press: 13 Torr)
- 밀도
- 0.9785 g/cm3 · 0.9785 g/cm3
- FEMA
- 3561 · 3561 | P-MENTHA-1,8-DIEN-7-YL ACETATE
- Specific Gravity
- 0.985 · 0.985
- 냄새
- 100 %에서 · 100.00%에서. 과일향이 나는 말린 과일 페놀릭 그린 제라늄 우디 매콤한 허브 꽃무늬
- 냄새 유형
- 과일 같은
- JECFA Number
- 975 · 975
- 화장품 원료 기능
- 향수
- LogP
- 3.61 · 3.61
- EPA
- 1 · 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate (15111-96-3)
화학적 성질
Dihydrocuminyl acetate (p-Mentha-1,8-dien-7-yl-acetate) is an almost colorless or pale yellowish oily liquid. Practically insoluble in water, soluble in alcohol and oils. p-Mentha-1,8-dien-7-yl-acetate has a warm herbaceous spicy odor.
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
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
응용 분야
출처Reported present in tangerine, orange, bitter orange and lemon peel oils, bergamot oil and grapefruit juice.
공급사10 곳
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
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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