Isopropyl acetoacetate (HCID 68329)

이름 및 식별자

우선 이름: Isopropyl acetoacetate
IUPAC: propan-2-yl 3-oxobutanoate
영어명: Isopropyl acetoacetate
분자식: C7H12O3
분자량: 144.17

이름 및 동의어

Isopropyl acetoacetateIsopropyl 3-oxobutanoateButanoic acid, 3-oxo-, 1-methylethyl esterUNII-38GTB2C6XCIsopropyl acetylacetate38GTB2C6XC3-Oxobutanoic acid 1-methylethyl esterEINECS 208-798-4EC 208-798-4DTXSID7060253Acetoacetic acid, isopropyl esterISOPROPYL ACETOACETATE [MI]

이름 더 보기

IPAAACIPIsopropylacetoactetateIsopropylacetoacetatIsopropyl acetoacetaIsopropyl3-oxobutyrateNimodipine Impurity 67Isopropyl3-oxobutanoateIsopropylAcetoacetate>

ACETOACETIC ACID ISOPROPYL ESTERefChem:149807DTXCID7041627208-798-4GVIIRWAJDFKJMJ-UHFFFAOYSA-N542-08-5propan-2-yl 3-oxobutanoateMFCD00043933

데이터베이스 식별자

CAS: 542-08-5
PubChem CID: 68329
DTXSID: DTXSID7060253
UNII: 38GTB2C6XC
EC Number: 208-798-4
Nikkaji: J101.359I

물성

구조 계산 물성

XLogP: 0.8
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

물리화학적 성질

녹는점: -27 °C · -27°C
끓는 점: 95 °C52 · 95 °C52 hPa(lit.)
밀도: 0.989 g/mL · 0.989 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.418
인화점: 73 °C · 73°C
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름, 에틸아세테이트, 메탄올, 톨루엔에 용해됨
산도 계수 (pKa): 11.67 · 11.67±0.46(Predicted)
물리적 상태: 무색 액체
색상: 무색 내지 거의 무색
수용성: 물과 약간 섞임.
Merck: 14 · 14,5206
BRN: 1757046 · 1757046
InChI: 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey: GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)CC(C)=O
LogP: 1.06 · 1.060 (est)
EPA: 3 · Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5)

화학적 성질

Colourless Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (69.7%): 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 66 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butanoic acid, 3-oxo-, 1-methylethyl ester

Butanoic acid, 3-oxo-, 1-methylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 3-oxo-, 1-methylethyl 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: 01-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12824

Hazard Classes and CategoriesSkin Irrit. 2 (69.7%)

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29183000
risk_code: 38
hazard_code: Xi
safety_code: 26-36-24/25
기존화학 물질: KE-27571
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 40,565 lb

Consumer UsesSolvent

Industry UsesIntermediate

General Manufacturing Information · 2건

Printing Ink Manufacturing

Butanoic acid, 3-oxo-, 1-methylethyl ester: ACTIVE

응용 분야

용도Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet

상·하류 제품 정보

하류 제품

공급사50 곳

北京华美互利生物化工010-56205725 · [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]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

연결된 노트

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Isopropyl acetoacetate

기본 정보