4-하이드록시-2-부타논

4-Hydroxy-2-Butanone

HCID 111509
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기본 정보

CAS
590-90-9
표준 SMILES
CC(=O)CCO
InChIKey
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
분자식
C4H8O2
평균 분자량
88.11 g/mol
단동위원소 질량
88.0524295

개요

4-hydroxybutan-2-one is a beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4. It is a methyl ketone and a beta-hydroxy ketone. It is functionally related to a butan-2-one.

이름 및 식별자

우선 이름
4-Hydroxy-2-Butanone
IUPAC
4-hydroxybutan-2-one
현지명
4-하이드록시-2-부타논
영어명
4-Hydroxy-2-butanone
분자식
C4H8O2
분자량
88.11

이름 및 동의어

4-Hydroxy-2-butanone4-Hydroxybutan-2-one590-90-92-Butanone, 4-hydroxy-Methylolacetone3-Oxo-1-butanol3-OxobutanolMonomethylolacetoneTCM0BJ44MF4H2B compoundNSC-41219DTXSID4060442
이름 더 보기
4-하이드록시-2-부타논4-하이드록시-2-뷰탄온4-히드록시-2-부탄온CH3C(O)CH2CH2OHButanone glycolH**4-HYDROXY-2-BUTANONEketobutanol
CHEBI:41268RefChem:99148DTXCID2042519209-693-63-Ketobutan-1-ol4-Butanol-2-one2-Hydroxyethyl methyl ketoneMFCD00059005

데이터베이스 식별자

CAS
590-90-9、68648-26-0
PubChem CID
111509
DTXSID
DTXSID4060442
ChEBI
CHEBI:41268
UNII
TCM0BJ44MF
EC Number
209-693-6
Nikkaji
J24.210A

물성

구조 계산 물성

XLogP
-0.8
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
6

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
SolventsSolvents -> Other Solvents
SpringerMaterials PropertiesDiamagnetic susceptibility
Vapor Pressure0.85 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
15 °C · 15°C (estimate)
끓는 점
73 · 73-76 °C/12 mmHg (lit.)
밀도
1.023 g/mL · 1.023 g/mL at 25 °C (lit.)
굴절률
1.43 · 1.430
인화점
91 °F · 91°F
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C

화학적 성질

Colourless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (27.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 17-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16317
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 3-Hydroxy-3-methyl-2-butanone.
Hazard Classes and CategoriesFlam. Liq. 3 (27.3%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993
HS 번호
29144000
risk_code
10
safety_code
16-24/25

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butanone, 4-hydroxy-: ACTIVE
응용 분야 · 2건

용도4-Hydroxy-2-butanone is used in the preparation of fused benzazepine molecules as selective D3 receptor antagonists with pharmaceutical activity. It is also used in the preparation of verrucarin and mevalonic acid lactone. Further, it is used to prepare 3-buten-2-one through dehydration over an anatase titanium dioxide catalyst. It is also employed in the preparation of 4-methyl-5-hydroxymethylthiazole, (±)-lineatin and beta-hydroxylactones.

일반 설명4-Hydroxy-2-butanone is an important pharmaceutical intermediate. Gas phase reaction of the OH radicals with 4-hydroxy-2-butanone has been investigated by absolute rate method.

상·하류 제품 정보

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

추가 설명

정의ChEBI: A beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.

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