CAS 488-10-8 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- (HCID 10261)

이름 및 식별자

우선 이름: 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
IUPAC: 3-methyl-2-pent-2-enylcyclopent-2-en-1-one
현지명: 시스쟈스몬
영어명: Jasmone
분자식: C11H16O
분자량: 164.24

이름 및 동의어

2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-3-methyl-2-pent-2-enylcyclopent-2-en-1-oneRefChem:4709743-Methyl-2-pent-2-enyl-cyclopent-2-enone3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2- pentenyl-(EZ)-jasmoneSCHEMBL5754568043-00-5DTXSID50859404AKOS0281089573-methyl-2-pent-2-enyl-cyclopent-2-en-1-one

이름 더 보기

시스쟈스몬시스-자스몬CIS-JASMONE(Z)-JASMONEFEMA 3196cis-JasmonJASMONEAids032327cis-JabarmeAids-032327Cis jasmineJASMONE, CIS-

3- methyl-2-(2-pentenyl)-2-cylco-penten-1-oneQ65952186

데이터베이스 식별자

CAS: 488-10-8
PubChem CID: 10261
DTXSID: DTXSID50859404

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 233

실험 및 물리화학적 성질

Density0.934-0.950

Solubility · 2건

slightly soluble in water; soluble in ether

Miscible at room temperature (in ethanol)

Boiling Point248 °C

Refractive Index1.489-1.501

Physical DescriptionPale yellowish to straw-coloured oily liquid; odour of jasmine

물리화학적 성질

끓는 점: 134 · 134-135 °C12 mm Hg(lit.)
밀도: 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
증기압: 0.91 Pa · 0.91Pa at 20℃
FEMA: 3196 · 3196 | 3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE
굴절률: 20 · n20/D 1.498(lit.)
인화점: 225 °F · 225 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: Liquid
색상: Colorless to Light orange to Yellow
냄새: 10 %.우디 · 디프로필렌 글리콜 중 10.00%.우디 허브 꽃 매콤한 자스민 셀러리 향
냄새 유형: 꽃향기
생물학적 소스: synthetic
수용성: 1.48 g/L · 1.48g/L at 20℃
Merck: 14 · 14,5259
JECFA Number: 1114 · 1114
BRN: 1907713 · 1907713
Henry's Law Constant: 5.2 · 5.2×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKey: IVLCENBZDYVJPA-ARJAWSKDSA-N
SMILES: [H]\C(CC)=C(/[H])CC1=C(C)CCC1=O
LogP: 2.8 at · 2.8 at 35℃
NIST: 2 · 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-(488-10-8)
EPA: 2 · 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- (488-10-8)

화학적 성질

Jasmone has a floral, fruity, jasmine odor. cis-Jasmone is widely used in the creation of high quality florals like jasmine and tuberose. Also used in the reconstitution of synthetic essential oils.

안전 및 규제

유해성 정보

Regulatory Information2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard

규제 정보

Regulatory Information2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GY7301000
독성: rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979.
HS 번호: 29142990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-24774
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids
유해 물질 데이터: 488-10-8(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Use ClassificationFlavoring Agents -> JECFA Flavorings Index

응용 분야 · 3건

개요This has a jasmine odor.

출처The cis-form is reportedly occurring naturally; it is found in the essential oils of jasmine (3%), jonquil, and Pittosporum glabratum, in neroli oil, in peppermint (Mentha piperita), and in bergamot, apricot, raspberry, cinnamon, corn mint and spearmint oils, beer, tea, soybean and heated beans.

용도Traces, often mere fractions of one percent in a perfume oil may introduce just that wanted warmth and deep floral note almost unobtainable with other chemicals.Jasmone's flavor power is even greater. Concentrations of about 1 ppm have perceptible effect in many fruit flavors, while naturally, concentrations in Mint flavors are higher.

상·하류 제품 정보

상류 원료

하류 제품

디하이드로 쟈스몬

공급사100 곳

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추가 설명

정의A ketone found in jasmine oil and other flower oils.

화합물 노트

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시스쟈스몬

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