하이드록시이소부틸산메틸에스테르

Methyl alpha-hydroxyisobutyrate

HCID 75024CAS 2110-78-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)C(C)(C)O
InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N
분자식
C5H10O3
평균 분자량
118.13 g/mol
단동위원소 질량
118.06299418

개요

Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.

이름 및 식별자

우선 이름
Methyl alpha-hydroxyisobutyrate
IUPAC
methyl 2-hydroxy-2-methylpropanoate
현지명
하이드록시이소부틸산메틸에스테르
영어명
Methyl 2-hydroxyisobutyrate
분자식
C5H10O3
분자량
118.13

이름 및 동의어

Methyl alpha-hydroxyisobutyrateRefChem:869275Methyl 2-hydroxyisobutyrate2110-78-3Methyl 2-hydroxy-2-methylpropanoateMethyl 2-methyllactatePropanoic acid, 2-hydroxy-2-methyl-, methyl ester2-Hydroxyisobutyric Acid Methyl EsterMethyl 2-hydroxy-2-methylpropionateMethyl2-hydroxyisobutyratemethyl |A-hydroxyisobutyratemethyl 2-hydroxy-2-methyl-propanoate
이름 더 보기
메틸알파-하이드록시아이소뷰티레이트α-하이드록시이소부틸산메틸에스테르하이드록시이소부틸산메틸에스테르메틸 알파-하이드록시아이소뷰티레이트HBMMethyl 2-hydroxybutyrateMethyl α-hydroxyisobthyl α-hydroxyisobutyrateMathyl-2-Hydroxyisobutyrate
MFCD00004457Lactic acid, 2-methyl-, methyl esterMethyl .alpha.-hydroxyisobutyrateMethyl-2-hydoxyisobutyric acidNSC-7305NSC-9381AI3-09121methyl-2-hydroxyisobutyrate

데이터베이스 식별자

CAS
2110-78-3
PubChem CID
75024
DTXSID
DTXSID5062184
ChEBI
CHEBI:166494
UNII
LV7R5J7XPV
EC Number
218-301-2
Nikkaji
J24.771E

물성

구조 계산 물성

XLogP
0.1
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical Description · 2건

Liquid

Colorless liquid; [Acros Organics MSDS]

물리화학적 성질

끓는 점
137 °C · 137 °C(lit.)
밀도
1.023 g/mL · 1.023 g/mL at 25 °C(lit.)
증기압
8.36 hPa · 8.36hPa at 25℃
굴절률
20 · n20/D 1.411(lit.)
인화점
108 °F · 108 °F
저장 조건
2 · Sealed in dry,2-8°C

화학적 성질

clear colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Propanoic acid, 2-hydroxy-2-methyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-hydroxy-2-methyl-, 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: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23409

Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Inhalation may cause CNS depression and cardiac disturbances; [Acros Organics MSDS] See Butyl isobutyrate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
HS 번호
29181990
risk_code
10
safety_code
16

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesCleaning agent
General Manufacturing Information · 2건

Computer and Electronic Product Manufacturing

Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: ACTIVE

응용 분야

용도Methyl 2-Hydroxy-2-methylpropanoate is commonly used as a solvent in coating compositions and as a cleaning component.

상·하류 제품 정보

공급사50 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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