3-Methyl-2-butanol

HCID 11732CAS 1517-66-4

기본 정보

표준 SMILES
CC(C)C(C)O
InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N
분자식
C5H12O
평균 분자량
88.15 g/mol
단동위원소 질량
88.088815

이름 및 식별자

우선 이름
3-Methyl-2-butanol
IUPAC
3-methylbutan-2-ol
영어명
3-Methyl-2-butanol
분자식
C5H12O
분자량
88.15

이름 및 동의어

3-METHYL-2-BUTANOL3-Methylbutan-2-ol598-75-42-Methyl-3-butanolsec-Isoamyl alcohol2-Butanol, 3-methyl-IsopropylmethylcarbinolMethylisopropylcarbinol1,2-Dimethylpropanol1,2-Dimethyl-1-propanolDL-3-Methyl-2-butanol(CH3)2CHCH(OH)CH3
이름 더 보기
FEMA No. 3703NSC 7116293FF0F303RIsopropyl methyl carbinolEINECS 209-950-2NSC-711621,2-dimethylpropyl alcoholCHEBI:77517

데이터베이스 식별자

CAS
1517-66-4、598-75-4
PubChem CID
11732
DTXSID
DTXSID20862268
ChEMBL
CHEMBL443470
ChEBI
CHEBI:77517
UNII
93FF0F303R
EC Number
209-950-2
Nikkaji
J43.343H

물성

구조 계산 물성

XLogP
1.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

LogP1.28
Density0.815-0.821
Solubility · 2건

56 mg/mL at 25 °C

(in ethanol)

Boiling Point · 2건

112.00 to 114.00 °C. @ 760.00 mm Hg

112 °C

Vapor Pressure9.15 [mmHg]
Refractive Index1.406-1.412

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (12.8%): Flammable liquid and vapor [Warning Flammable liquids];H332 (99.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (99.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1475 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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

Regulatory Information · 2건

Chemical: 2-Butanol, 3-methyl-

2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1건

Overexposure may cause skin, eye, nose, and throat irritation, headache, dizziness, dyspnea, nausea, and vomiting; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] A respiratory tract irritant; Harmful by inhalation; May defat the skin; [Alfa Aesar MSDS] See 2-Methyl-1-butanol and 2-Methyl-2-butanol.

Hazard Classes and CategoriesFlam. Liq. 3 (12.8%);Acute Tox. 4 (99.2%);STOT SE 3 (99.7%)

안전 및 보호

Exposure Control and Personal Protection20.0 [ppm]

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

Regulatory Information · 2건

Chemical: 2-Butanol, 3-methyl-

2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Butanol, 3-methyl-: ACTIVE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

관련 반응

16건

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