기본 정보
- CAS
35158-25-9- 표준 SMILES
CC(C)CC=C(C=O)C(C)C- InChIKey
IOLQAHFPDADCHJ-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
이름 및 식별자
- 우선 이름
- 2-Isopropyl-5-methyl-2-hexenal
- IUPAC
- 5-methyl-2-propan-2-ylhex-2-enal
- 현지명
- 2-이소프로필-5-메틸-2-헥세날
- 영어명
- 2-Isopropyl-5-methyl-2-hexenal
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
35158-25-95-methyl-2-propan-2-ylhex-2-enal5-Methyl-2-isopropyl-2-hexenal2-Hexenal, 5-methyl-2-(1-methylethyl)-2-Isopropyl-5-methylhex-2-enalFEMA No. 34062-Hexenal, 2-isopropyl-5-methyl-2-Isopropyl-5-methyl-2-hexen-1-al7F8Q5STQ11RefChem:87286252-406-42-Isopropyl-5-methyl-2-hexenal
이름 더 보기
2-이소프로필-5-메틸-2-헥세날FEMA 3406ISODIHYDROLAVANDULYL ALDEHYDECocoaaldehydeCacao aldehydeISODIHYDRO LAVANDULALMETHYL JASMONATE 95+%Isopropyl-5-Methyl-2-hNatural Cocoa Aldehyde
(e)-2-isopropyl-5-methyl-2-hexenalPregabalin Impurity N48Pregabalin Impurity 164SCHEMBL459468orb3029155DTXSID5067891AKOS0252432615-methyl-2-(propan-2-yl)hex-2-enal
데이터베이스 식별자
- CAS
35158-25-9- PubChem CID
- 37066
- DTXSID
DTXSID5067891- EC Number
- 252-406-4
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Isopropyl-5-methyl-2-hexenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.840-0.846
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
soluble (in ethanol)
Boiling Point189 °C
Refractive Index1.448-1.454
Physical DescriptionPale yellow liquid; powerful woody, herbaceous aroma
물리화학적 성질
- 끓는 점
- 189 °C · 189 °C(lit.)
- 밀도
- 0.845 g/mL · 0.845 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.452(lit.)
- FEMA
- 3406 · 3406 | 2-ISOPROPYL-5-METHYL-2-HEXENAL
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports.
Warning
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1450 reports by companies from 11 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Hexenal, 5-methyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-isopropyl-5-methylhex-2-enal (EC: 252-406-4)
2-Hexenal, 5-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (> 99.9%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MP6450000
- ridadr
- 1989
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexenal, 5-methyl-2-(1-methylethyl)-: ACTIVE
응용 분야
개요The derivatives are concrete and absolute. The concrete is prepared in approximately 1.5 to 2.0% yields by solvent extraction (ben zene, petroleum ether) of the freshly cut flowering herb. It is a dark-green, viscous mass. An absolute is obtained in approxi mately 45% yields by distillation of the concrete with diethylene glycol.
출처Reported found in cocoa
일반 설명2-Isopropyl-5-methyl-2-hexenal is a volatile aroma constituent of malted barley and roasted coffee beans. It can be formed via Maillard reaction between leucine and 3-methylbutanal.
제조 방법
By aldol condensation of isovaleraldehyde
상·하류 제품 정보
상류 원료
공급사98 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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