3-Methyl-2-butanol

HCID 11732CAS 1517-66-4

基本情報

標準SMILES
CC(C)C(C)O
InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N
分子式
C5H12O
平均分子量
88.15 g/mol
単同位体質量
88.088815

名称と識別子

優先名称
3-Methyl-2-butanol
IUPAC
3-methylbutan-2-ol
英語名
3-Methyl-2-butanol
分子式
C5H12O
分子量
88.15

名称と別名

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
名称をさらに表示
FEMA No. 3703NSC 7116293FF0F303RIsopropyl methyl carbinolEINECS 209-950-2NSC-711621,2-dimethylpropyl alcoholCHEBI:77517

データベース識別子

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

物性

構造計算による物性

XLogP
1.3
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
6

実験および物理化学的性質

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

56 mg/mL at 25 °C

(in ethanol)

Boiling Point · 2 件

112.00 to 114.00 °C. @ 760.00 mm Hg

112 °C

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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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 · 1 件

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%)

安全と保護具

Exposure Control and Personal Protection20.0 [ppm]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

法規制情報

Regulatory Information · 2 件

Chemical: 2-Butanol, 3-methyl-

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

化学と産業

薬理情報

Cellular LocationsCytoplasm;Extracellular

用途と製造

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

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

サプライヤー50 社

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]

関連反応

16 件

関連ノート

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