이소부틸산메틸에스테르

Methyl isobutyrate

HCID 11039CAS 26161-42-2

기본 정보

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

개요

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.

이름 및 식별자

우선 이름: Methyl isobutyrate
IUPAC: methyl 2-methylpropanoate
영어명: POLY(L-LACTIDE)
분자식: C5H10O2
분자량: 102.1317

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 66.5

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점: 220 ℃ · 220℃
밀도: 1.29 g/cm3 · 1.290 g/cm3
저장 조건: -20 °C · -20°C
물리적 상태: pellets
색상: faint beige to beige
주요 응용: 세포 분석
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk: 3
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

응용 분야

용도Medical device

공급사18 곳

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]

연결된 노트

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