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기본 정보
- CAS
1516-17-2- 표준 SMILES
C/C=C/C=C/COC(C)=O- InChIKey
PXVKYPFROMBALG-VNKDHWASSA-N- 분자식
- C8H12O2
- 평균 분자량
- 140.18 g/mol
- 단동위원소 질량
- 140.08372962
개요
2,4-hexadienyl acetate is an acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of hexa-2,4-dien-1-ol. It has a role as a flavouring agent and a plant metabolite. It is an acetate ester and an olefinic compound.
이름 및 식별자
- 우선 이름
- Sorbyl acetate
- IUPAC
- [(2E,4E)-hexa-2,4-dienyl] acetate
- 현지명
- 트랜스,트랜스-2,4-헥사디에닐아세테이트
- 영어명
- trans,trans-2,4-Hexadienyl acetate
- 분자식
- C8H12O2
- 분자량
- 140.18
이름 및 동의어
Sorbyl acetate1516-17-22,4-Hexadienyl acetate[(2E,4E)-hexa-2,4-dienyl] acetateHexa-2,4-dienyl acetate2,4-Hexadien-1-ol, acetate(E,E)-2,4-Hexadienyl acetateACETIC ACID, 2,4-HEXADIENYL ESTERFEMA no. 4132Hexa-2,4-dienyl AAcetic acid, 2,4-hexadien-1-ol ester2,4-Hexadien-1-ol, 1-acetate
이름 더 보기
트랜스,트랜스-2,4-헥사디에닐아세테이트2,4-HexadHexa-2,4-dienylacetat1-Acetoxy-2,4-hexadiene2,4-hexadien-1-ol,acetateHexa-2,4-dien-1-yl acetateT2 T4 HEXADIEN 1YL ACETATEE,E-2,4-Hexadienyl acetate
2,4-Hexadienylester kyseliny octoveEINECS 216-163-82,4-Hexadien-1-ol, 1-acetate, (2E,4E)-AI3-329625416SJ1T8T2,4-Hexadienylester kyseliny octove [Czech]2,4-HEXADIENYL ACETATE [FHFI]((2E,4E)-hexa-2,4-dienyl) acetate
데이터베이스 식별자
- CAS
1516-17-2、57006-69-6
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.928-0.932
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
100.00 °C. @ 20.00 mm Hg
100 °C (20 mm Hg)
Refractive Index1.470-1.476
Physical DescriptionColourless liquid; Powerful, sweet, pineapple aroma
물리화학적 성질
- 끓는 점
- 192 · 192-193 °C (lit.)
- 밀도
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.474(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 140 reports by companies from 2 notifications to the ECHA C&L Inventory.
Not Classified
유해성 정보
Regulatory Information
Chemical: 2,4-Hexadien-1-ol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23628
Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34318
2,4-Hexadien-1-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Dam. 1 (100%)
Not Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI0350000
- 독성
- LD50 orl-rat: 4360 mL/kg TXAPA9 28,313,74
- HS 번호
- 29153900
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- 기존화학 물질
- KE-18533
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2,4-Hexadien-1-ol, 1-acetate: ACTIVE
공급사109 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北科麦迪化工有限公司18372743325 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州言鼎生物医药科技有限公司18989469219 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
河北创海生物科技有限公司
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