イソ酪酸メチル

Methyl isobutyrate

HCID 11039CAS 26161-42-2

基本情報

標準SMILES: COC(=O)C(C)C
InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
分子式: C5H10O2
平均分子量: 102.13 g/mol
単同位体質量: 102.06807956

概要

Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid.

名称と識別子

優先名称: Methyl isobutyrate
IUPAC: methyl 2-methylpropanoate
現地名: ポリ(L-ラクチド)
英語名: POLY(L-LACTIDE)
分子式: C5H10O2
分子量: 102.1317

名称と別名

METHYL ISOBUTYRATE547-63-7Methyl 2-methylpropanoateMethyl 2-methylpropionatePropanoic acid, 2-methyl-, methyl esterIsobutyric acid, methyl esterFEMA No. 2694EM286QL922NSC-126780DTXSID5060275CHEBI:73689RefChem:157905

名称をさらに表示

ポリ(L-ラクチド)PURASORB(R) PLResomer L 209SLACTEL BP-0600PURASORB(R) PL8PURASORB(R) PL6PURASORB(R) PL4PURASORB(R) PL2PURASORB(R) PL10Poly(L-lactided)L-LACTIDE POLYMER

DTXCID9041782208-929-5Methyl isobutanoate106989-11-1ISOBUTYRIC ACID METHYL ESTER26161-42-2Methylester kyseliny isomaselneNSC 126780

データベース識別子

CAS: 26161-42-2、547-63-7
PubChem CID: 11039
DTXSID: DTXSID5060275
ChEBI: CHEBI:73689
UNII: EM286QL922
EC Number: 208-929-5、880-251-8
Nikkaji: J24.699I

物性

構造計算による物性

XLogP: 1.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 66.5

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Methyl isobutyrate) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.884-0.888

Flavoring AgentsEU Flavoring substances

Solubility1 ml in 1 ml 95% alcohol (in ethanol)

物理化学的性質

融点: 220 ℃ · 220℃
比重(密度): 1.29 g/cm3 · 1.290 g/cm3
貯蔵温度: -20 °C · -20°C
外見: pellets
色: faint beige to beige
主な用途: 細胞分析
InChI: 1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
InChIKey: JVTAAEKCZFNVCJ-UWTATZPHSA-N
SMILES: C[C@@H](O)C(O)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (> 99.9%): Highly Flammable liquid and vapor [Danger 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 1750 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Propanoic acid, 2-methyl-, methyl ester

Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25782

Methyl isobutyrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, methyl ester: Human health tier I assessment

Hazard Classes and CategoriesFlam. Liq. 2 (> 99.9%)

安全データ

wgk: 3
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPropanoic acid, 2-methyl-, methyl ester: ACTIVE

応用分野

使用Medical device

サプライヤー18 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Shanghai Enviko Biotechnologyg Co.,Ltd+86-13918629532 +86-13918629532 · [email protected]

Aladdin Scientific[email protected]