기본 정보
- CAS
20073-13-6- 표준 SMILES
CCC=CCC1C(=O)CCC1CC(=O)OC- InChIKey
GEWDNTWNSAZUDX-UHFFFAOYSA-N- 분자식
- C13H20O3
- 평균 분자량
- 224.3 g/mol
- 단동위원소 질량
- 224.1412445
개요
Methyl jasmonate has been reported in Artemisia tridentata with data available.
이름 및 식별자
- 우선 이름
- Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
- IUPAC
- methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
- 현지명
- 메틸자스모네이트
- 영어명
- Methyl Jasmonate
- 분자식
- C13H20O3
- 분자량
- 224.3
이름 및 동의어
Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetateRefChem:815606254-705-539924-52-2Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl estermethyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate20073-13-61101843-02-0Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate(??)-Methyl Jasmonate3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, methyl esterMethylEJasmonate
이름 더 보기
메틸자스모네이트(Z)-trans-(+/-)-trans-Methyl jasmonaterac-trans JasMonic Acid Methyl EsterJasmonicacidmethylester=MethylJasmonateJasmonic Acid Impurity 2（rac-trans Jasmonic Acid Methyl Ester）Methyl-(+/-)Jasmonate=JasmonsreMethylester=JasmonicacidMethylestermethyl [1alpha,2beta(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate(1R,2R)-rel-3-Oxo-2-(2Z)-2-penten-1-ylcyclopentaneacetic Acid Methyl EsterCyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2 R)-rel-
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)-rel-methyl (Z)-jasmonatebmse000551orb1221477SCHEMBL1301885DTXSID90859600MSK7921GEWDNTWNSAZUDX-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
20073-13-6、39924-52-2- PubChem CID
- 62388
- DTXSID
DTXSID90859600- EC Number
- 243-497-1、254-705-5
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 281
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 175 °C · 175 °C(Press: 0.08 Torr)
- 밀도
- 1 · 1,02 g/cm3
- 인화점
- 156 °C · 156°C
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 기름
- 색상
- 무색
- 냄새
- 100 %에서 · 100.00%에서. 꽃무늬 재스민
- 냄새 유형
- 꽃향기
- LogP
- 2.945 · 2.945 (est)
- EPA
- 3 · Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2R)-rel- (20073-13-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 81% (171 of 211) of all reports.
Warning
H302 (19%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate (EC: 243-497-1)
Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (19%)
Skin Sens. 1 (100%)
안전 데이터
- tsca
- TSCA listed
- safety_code
- 23-24/25
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-rel-: INACTIVE
Cyclopentaneacetic acid, 3-oxo-2-(2-penten-1-yl)-, methyl ester: ACTIVE
응용 분야
용도Jasmonic acid (J210520) analog, a constituent of essential oil of Jasmine.
공급사11 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
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