하이드록시-3-메틸-2-부타온

3-Hydroxy-3-methyl-2-butanone

HCID 8261CAS 115-22-0

기본 정보

표준 SMILES
CC(=O)C(C)(C)O
InChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-N
분자식
C5H10O2
평균 분자량
102.13 g/mol
단동위원소 질량
102.06807956

이름 및 식별자

우선 이름
3-Hydroxy-3-methyl-2-butanone
IUPAC
3-hydroxy-3-methylbutan-2-one
현지명
하이드록시-3-메틸-2-부타온
영어명
3-Hydroxy-3-methyl-2-butanone
분자식
C5H10O2
분자량
102.13

이름 및 동의어

3-HYDROXY-3-METHYL-2-BUTANONE115-22-03-hydroxy-3-methylbutan-2-one2-Butanone, 3-hydroxy-3-methyl-3-MethylacetoinMethylacetoinDimethylacetylcarbinol1-Hydroxy-1-methylethyl methyl ketone2-Hydroxy-2-methyl-3-butanone2-Methyl-2-hydroxybutan-3-one3-hydroxy-3-methyl-butan-2-oneMFCD00004460
이름 더 보기
3-하이드록시-3-메틸-2-뷰탄온3-하이드록시-3-메틸-2-부타논3-히드록시-3-메틸-2-부타논하이드록시-3-메틸-2-부타온3-HYDROXY-3-METHYL-22-Methylbutan-2-ol-3-one3-Hydroxy-3-methylbutanone3-hydroxy-3-methyl-2-butanon
Acetyldimethylcarbinol3-methyl-3-hydroxy-2-butanoneNSC 5576EINECS 204-073-1NSC-5576AKOS0091570703-Hydroxy-3-methyl-2-butanone, 95% anhydrous basis3-Hydroxy-3-ethylbutanone

데이터베이스 식별자

CAS
115-22-0
PubChem CID
8261
DTXSID
DTXSID60870468
ChEBI
CHEBI:179407
UNII
YYL6RC5VC2
EC Number
204-073-1
Nikkaji
J95.395D

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
7

실험 및 물리화학적 성질

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 3건

778;779

691;700

1262;1246;1238;1243;1247;1262

물리화학적 성질

녹는점
84 · 84-85 °C
끓는 점
140 · 140-141 °C (lit.)
밀도
0.971 g/mL · 0.971 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.415(lit.)
인화점
108 °F · 108 °F
저장 조건
Flammables area

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

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

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Diacetone alcohol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
HS 번호
29144000
risk_code
10
safety_code
23-24/25-22

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butanone, 3-hydroxy-3-methyl-: ACTIVE

응용 분야

용도3-Hydroxy-3-methyl-2-butanone used to produce 2,5-dihydroxy-2-methyl-heptan-3-one, laboratory chemicals.

제조 방법 · 1건

synthesis of 3-Hydroxy-3-methyl-2-butanone: 19ml of concentrated sulfuric acid (98wt%) was slowly mixed with 100ml of water, then 13g of yellow mercury oxide was added within 1.5h, 84g (1.0mol) of 2-methyl-3-butyn-2-ol was added dropwise to the sulfuric acid solution containing mercury oxide at 65-75°C, Then the reaction was stirred at 65-75°C for 30min, cooled to room temperature after the reaction was completed, the reaction product was subjected to suction filtration, the filtrate after suction filtration was extracted with ether (3×20ml), and the organic phase after extraction was water and hydrogen carbonate respectively. Washed with sodium solution, the washed organic phase was dried with anhydrous magnesium sulfate, and then filtered, the filtered filtrate was concentrated by rotary evaporation and then distilled, and the 140°C fraction was collected, 45.6 g of light yellow liquid was obtained as 3-hydroxy-3-methyl-2-butanone, and the yield was 32.2%.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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