3-Methyl-2-butenal (HCID 61020)

이름 및 식별자

우선 이름: 3-Methyl-2-butenal
IUPAC: 3-methylbut-2-enal
영어명: 3-Methyl-2-butenal
분자식: C5H8O
분자량: 84.12

이름 및 동의어

3-Methyl-2-butenal3-Methylbut-2-enal107-86-8Senecialdehyde3-Methylcrotonaldehyde3,3-DimethylacroleinSenecioaldehyde2-BUTENAL, 3-METHYL-Crotonaldehyde, 3-methyl-beta-Methylcrotonaldehydebeta,beta-Dimethylacrolein3,3-Dimethyl-acrylaldehyde

이름 더 보기

PRENALFEMA 36463-methyl-but-2-enal-2-butenaL3-methyl-2-butena

beta,beta-Dimethylacrylic aldehydeFEMA No. 3646DTXSID80296062JZ2B60W76NSC-149164DTXCID509606CHEBI:15825RefChem:884868

데이터베이스 식별자

CAS: 107-86-8
PubChem CID: 61020
DTXSID: DTXSID8029606
ChEMBL: CHEMBL453815
ChEBI: CHEBI:15825
UNII: 2JZ2B60W76
EC Number: 203-527-6
Nikkaji: J9.338F

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 68

물리화학적 성질

녹는점: -20 °C · -20°C
끓는 점: 133 · 133-135 °C (lit.)
밀도: 0.878 g/mL · 0.878 g/mL at 20 °C 0.872 g/mL at 25 °C (lit.)
증기압: 7 mm · 7 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.462(lit.)
FEMA: 3646 · 3646 | 3-METHYL-2-BUTENAL
인화점: 93 °F · 93 °F
저장 조건: 2 · 2-8°C
용해도: 쉽게 용해됨
물리적 상태: 액체
색상: 무색투명~연황색
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 과일향 톡 쏘는 갈색 열매가 많은 아몬드 체리
냄새 유형: 과일 같은
생물학적 소스: synthetic
수용성: 녹는
Merck: 14 · 14,8448
JECFA Number: 1202 · 1202
BRN: 1734740 · 1734740
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey: SEPQTYODOKLVSB-UHFFFAOYSA-N
SMILES: [H]C(=O)\C=C(\C)C
LogP: 0.53 at · 0.53 at 25℃
NIST: 3 · 3-methyl-2-butenal(107-86-8)
EPA: 2 · 2-Butenal, 3-methyl- (107-86-8)

화학적 성질

3-Methyl-2-butenal has an almond odor

안전 및 규제

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 1989 3/PG 3
HS 번호: 29121900
risk_code: 10-22-37/38-41-43-36/37/38-34-20/22-20/21/22
hazard_code: Xn,Xi,C
safety_code: 26-36-37/39-16-45-36/37/39
포장분류: III
위험 등급: 3
F 고인화성물질: 9-13-23
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 3건

개요3-Methyl-2-butenal has an almond odor.

용도3-Methyl-2-butenal is used in small quantities as food flavor in alcoholic beverages, chewing gums, confection frosting, frozen dairy, fruit ice, gelatin pudding, hard and soft candy and jam jelly. Used in daily flavor, and cosmetic flavor in perfumes. A starting material for the synthesis of vitamin A.

일반 설명3-Methylcrotonaldehyde is an α, β-unsaturated aldehyde. Electrochemical dimerization of 3-methylcrotonaldehyde was reported. The hydrogenation of 3-methylcrotonaldehyde over Ru, Pt and Rh was investigated.

상·하류 제품 정보

상류 원료

하류 제품

6-Methoxyquinaldine (E)-6-메틸-3,5-헵타디엔-2-온 칼라놀라이드B Zanthobungeanine 아세트산라반둘릴에스테르 2,2-디메틸-2H-크롬-6-카르보니트릴 메틸(3-)-3-부텐-2-온 alpinumisoflavone 메틸이소프로필케톤 1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)ethanone Butanal, 3-methyl-3-(phenylthio)-5,8-Dihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one

공급사50 곳

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]

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]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

추가 설명

정의ChEBI: An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.

연결된 노트

불러오는 중…

3-Methyl-2-butenal

기본 정보