2-ヒドロキシイソ酪酸メチル

Methyl alpha-hydroxyisobutyrate

HCID 75024
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基本情報

CAS
2110-78-3
標準SMILES
COC(=O)C(C)(C)O
InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N
分子式
C5H10O3
平均分子量
118.13 g/mol
単同位体質量
118.06299418

概要

Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.

名称と識別子

優先名称
Methyl alpha-hydroxyisobutyrate
IUPAC
methyl 2-hydroxy-2-methylpropanoate
現地名
2-ヒドロキシイソ酪酸メチル
英語名
Methyl 2-hydroxyisobutyrate
分子式
C5H10O3
分子量
118.13

名称と別名

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
名称をさらに表示
2-ヒドロキシイソ酪酸メチル2-ヒドロキシ-2-メチルプロパン酸メチル2-ヒドロキシ-2-メチルプロピオン酸メチルα-ヒドロキシイソ酪酸メチル2-メチル-2-ヒドロキシプロパン酸メチル2-メチル-2-ヒドロキシプロピオン酸メチル2-ヒドロキシイソブタン酸メチルエステルα-ハイドロキシイソ絡酸メチルエステルα-ヒドロキシイソ酪酸メチルエステルメチル＝2-ヒドロキシ-2-メチルプロパノアート2‐ヒドロキシイソ酪酸メチルHBMMethyl 2-hydroxybutyrateMethyl α-hydroxyisobthyl α-hydroxyisobutyrateMathyl-2-Hydroxyisobutyrate
MFCD00004457Lactic acid, 2-methyl-, methyl esterMethyl .alpha.-hydroxyisobutyrateMethyl-2-hydoxyisobutyric acidNSC-7305NSC-9381AI3-09121methyl-2-hydroxyisobutyrate

データベース識別子

CAS
2110-78-3
PubChem CID
75024
DTXSID
DTXSID5062184
ChEBI
CHEBI:166494
UNII
LV7R5J7XPV
EC Number
218-301-2
Nikkaji
J24.771E

物性

構造計算による物性

XLogP
0.1
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
8

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical Description · 2 件

Liquid

Colorless liquid; [Acros Organics MSDS]

物理化学的性質

沸点
137 °C · 137 °C(lit.)
比重(密度)
1.023 g/mL · 1.023 g/mL at 25 °C(lit.)
蒸気圧
8.36 hPa · 8.36hPa at 25℃
屈折率
20 · n20/D 1.411(lit.)
闪点
108 °F · 108 °F
貯蔵温度
2 · Sealed in dry,2-8°C

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29181990
risk_code
10
化審法
(2)-1404, (2)-1430

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesCleaning agent
General Manufacturing Information · 2 件

Computer and Electronic Product Manufacturing

Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: ACTIVE

応用分野

使用Methyl 2-Hydroxy-2-methylpropanoate is commonly used as a solvent in coating compositions and as a cleaning component.

上流・下流製品情報

サプライヤー100 社

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]
郑州阿尔法化工有限公司+86-18530059196 · [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]

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