메틸이소데하이드로아세테이트

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester

HCID 170485CAS 41264-06-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)c1c(C)cc(=O)oc1C
InChIKey
VLYBFLKIZIACQH-UHFFFAOYSA-N
분자식
C9H10O4
평균 분자량
182.17 g/mol
단동위원소 질량
182.0579088

이름 및 식별자

우선 이름
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
IUPAC
methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
현지명
메틸이소데하이드로아세테이트
영어명
Methyl isodehydroacetate
분자식
C9H10O4
분자량
182.17

이름 및 동의어

41264-06-6Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl esterEINECS 255-283-5DTXSID4068292RefChem:484413DTXCID7039888255-283-5Methyl isodehydroacetateMethyl isodehydracetatemethyl 2,4-dimethyl-6-oxopyran-3-carboxylateMFCD00006642
이름 더 보기
메틸이소데하이드로아세테이트METHYL ISODEHYDROACETATE,97%Methyl 4,6-dimethyl-2-oxo-2H-p2,4-dimethyl-6-oxo-3-pyrancarboxylic acid methyl ester
655WKG5F95MethylisodehydroacetateMethyl isodehydrocetatstarbld0019183UNII-655WKG5F95SCHEMBL19749524,6-dimethyl-2-oxo-2h-pyran-5-carboxylicacimethylesterisodehydroacetic acid methyl ester

데이터베이스 식별자

CAS
41264-06-6
PubChem CID
170485
DTXSID
DTXSID4068292
UNII
655WKG5F95
EC Number
255-283-5
Nikkaji
J320.036A

물성

구조 계산 물성

XLogP
0.6
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

Physical DescriptionDry Powder; Large Crystals

물리화학적 성질

녹는점
68 · 68-70 °C(lit.)
끓는 점
167 °C14 · 167 °C14 mm Hg(lit.)
밀도
1.1634 · 1.1634 (rough estimate)
굴절률
1.4209 · 1.4209 (estimate)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

WHITE NEEDLE-LIKE CRYSTALS OR CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23888

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29322985
safety_code
24/25

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester: ACTIVE

응용 분야

용도Methyl Isodehydracetate is used used in the preparation of insect growth regulators with juvenile hormone activity.

공급사45 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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