메틸자스모네이트

a Methyl jasmonate

HCID 5319693
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기본 정보

CAS
20073-13-6
표준 SMILES
CC/C=C\CC1C(=O)CCC1CC(=O)OC
InChIKey
GEWDNTWNSAZUDX-XXJOZFEBSA-N
분자식
C13H20O3
평균 분자량
224.3 g/mol

개요

MeJA is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid.

이름 및 식별자

우선 이름
a Methyl jasmonate
IUPAC
methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
현지명
메틸자스모네이트
영어명
Methyl Jasmonate
분자식
C13H20O3
분자량
224.3

이름 및 동의어

a methyl jasmonateRefChem:1075119Methyl Jasmonate (90%)1101843-02-0Methyl (Z)-2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetateMeJAmethyl {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate39924-52-2Jasmonic acid methyl ester (mixture of isomers)Methyl (Z)-2-[3-Oxo-2-(2-penten-1-yl)cyclopentyl]acetate2-[3-Oxo-2-((Z)-2-penten-1-yl)cyclopentyl]acetic Acid Methyl EsterMFCD00151382
이름 더 보기
메틸자스모네이트(Z)-trans-(+/-)-methyl (Z)-jasmonatetrans-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-
20073-13-6an MeJAMethyl 3-oxo-2-(2-pentenyl)cyclopentaneacetatea jasmonate methyl estera jasmonic acid methyl esterCHEMBL461150SCHEMBL1301883CHEBI:189436

데이터베이스 식별자

CAS
20073-13-6、39924-52-2
PubChem CID
5319693
ChEMBL
CHEMBL461150
ChEBI
CHEBI:189436
EC Number
243-497-1
Nikkaji
J2.354.759G

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

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances

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

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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 · 2건

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 · 2건

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17721401538;17717235263 17721401538 · [email protected]

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