Methyl isobutyrate
기본 정보
- CAS
26161-42-2- 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 isobutanoate106989-11-1Methyl isobutyrate (natural)ISOBUTYRIC ACID METHYL ESTER26161-42-2Methylester kyseliny isomaselne
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 Ų
- 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)
Boiling Point
91.00 to 93.00 °C. @ 760.00 mm Hg
90 °C
Melting Point-84.7 °C
Refractive Index1.382-1.386
Physical Description
Liquid
colourless liquid
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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Propanoic acid, 2-methyl-, methyl ester
REACH registered substance: Methyl isobutyrate (EC: 208-929-5)
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
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
관련 반응
114건
화합물 노트
불러오는 중…