CAS 42558-54-3 Methyl 4-methyl-3-oxopentanoate (HCID 2759969)

개요

See also: Pentanoic acid, 4-methyl-3-oxo-, methyl ester (annotation moved to).

이름 및 식별자

우선 이름: Methyl 4-methyl-3-oxopentanoate
IUPAC: methyl 4-methyl-3-oxopentanoate
영어명: Methyl isobutyrylacetate
분자식: C7H12O3
분자량: 144.17

이름 및 동의어

methyl 4-methyl-3-oxopentanoateEC 418-900-0RefChem:816532418-900-042558-54-3Methyl isobutyrylacetateMethyl 4-methyl-3-oxovaleratemethylisobutyrylacetate4-Methyl-3-oxovaleric Acid Methyl EsterIsobutyrylacetic Acid Methyl EsterMFCD00040499methyl 4-methyl-3-oxo-pentanoate

이름 더 보기

MIBAMethyl isobutyrylacetate ,98%IBEM-3-oxopentanoateBUTTPARK 30\10-63Methyl 4-methyl-3-oxMethyl Isobutyryacetate

methyl 3-oxo-4-methylpentanoateDTXSID403749744-methyl-3-oxopentanic acid methyl ester4-methyl-3-oxo-pentanoic acid methyl esterEN300-21076Iso-butyryl methyl acetateMethyl 4-methy-2,2-dimethyl-1,3-dioxane-4-Acetate

데이터베이스 식별자

CAS: 42558-54-3
PubChem CID: 2759969
DTXSID: DTXSID40374974
EC Number: 418-900-0
Nikkaji: J765.603C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: -75 °C · -75°C
끓는 점: 55 · 55-57 °C15 hPa(lit.)
밀도: 1.013 g/mL · 1.013 g/mL at 20 °C(lit.)
증기압: 1.46 hPa · 1.46hPa at 25℃
굴절률: 1.4265 · 1.4265
인화점: 79 °C · 79°C
저장 조건: 30 °C · Store below +30°C.
용해도: 43.6 g/L · 43.6g/L
산도 계수 (pKa): 10.59 · 10.59±0.46(Predicted)
물리적 상태: 기름
색상: 무색
수소이온지수(pH): 4.8 · 4.8 (10g/l, H2O, 20℃)
폭발한계: 1.29 % · 1.29%(V)
수용성: 43.6 g/L · 43.6g/L at 20℃
BRN: 1857823 · 1857823
InChI: 1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3
InChIKey: HNNFDXWDCFCVDM-UHFFFAOYSA-N
SMILES: O(C)C(=O)CC(=O)C(C)C
LogP: 0.21 at · 0.21 at 25℃

화학적 성질

colorless to yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (4 of 8) of reports.

Danger

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26015

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk: 1
HS 번호: 29183000
risk_code: 36/38
safety_code: 26-36-24/25
자연 발화 온도: 280°C
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet

상·하류 제품 정보

상류 원료

2,2-diMethyl-5-(2-Methylpropanoyl)-1,3-dioxane-4,6-dione 에틸3-옥소-2-아세틸-4-메틸펜타노에이트 Azulene, 1,2,3,3a,6,8a-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R,3aS,8aS)-메틸4-메틸-2-펜텐에이트 4-메틸-3-옥소펜타노산 이소부티릴멜드럼산 메틸디아조아세테이트 이소부티릴 클로라이드 Ethyl isobutyrylacetate 메틸이소프로필케톤

하류 제품

2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide 1,3-Pentanediol, 4-methyl-1-methoxy-4-methylpentan-3-ol 5-Thiazolecarboxylic acid, 4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-, methyl ester 2-AMINO-4-HYDROXY-6-ISOPROPYLPYRIMIDINE METHYL 5-ISOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)ISOXAZOLE-4-CARBOXYLATE

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

화합물 노트

불러오는 중…

Methyl 4-methyl-3-oxopentanoate

기본 정보

개요