하이드록시이소부틸산메틸에스테르
Methyl alpha-hydroxyisobutyrate
기본 정보
- CAS
2110-78-3- 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
- 형식 전하
- 0
- 복잡도
- 95.8
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical Description
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
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 13.14 · 13.14±0.29(Predicted)
- 색상
- 무색의
- 수용성
- 1000 g/L · 1000g/L at 20℃
- BRN
- 1746607 · 1746607
- InChI
- 1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
- InChIKey
- XYVQFUJDGOBPQI-UHFFFAOYSA-N
- SMILES
- COC(=O)C(C)(C)O
- LogP
- -0.021 at · -0.021 at 23.5℃
- NIST
- 2 · Propanoic acid, 2-hydroxy-2-methyl-, methyl ester(2110-78-3)
- EPA
- 2 · Methyl 2-methyllactate (2110-78-3)
화학적 성질
clear colourless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- KE-20682
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesCleaning agent
General Manufacturing Information
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.
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