기본 정보
- CAS
10094-40-3- 표준 SMILES
CCC/C=C/COC(C)=O- InChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
개요
(E)-hex-2-enyl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid. It has a role as a flavouring agent and a plant metabolite. It is an acetate ester and an olefinic compound. It is functionally related to an (E)-hex-2-en-1-ol.
이름 및 식별자
- 우선 이름
- 2-Hexenyl acetate, (2E)-
- IUPAC
- [(E)-hex-2-enyl] acetate
- 현지명
- 헥스-2-에닐아세테이트
- 영어명
- hex-2-enyl acetate
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
trans-2-Hexenyl acetate2497-18-9[(E)-hex-2-enyl] acetatetrans-Hex-2-enyl acetate(E)-2-HEXENYL ACETATE2-Hexen-1-ol, acetate2-Hexen-1-yl-acetatetrans-2-hexen-1-yl acetate2-Hexen-1-ol, 1-acetate, (2E)-2-Hexenyl acetate, (2E)-2-Hexen-1-ol, acetate, (E)-(e)-2-hexen-1-yl acetate
이름 더 보기
헥스-2-에닐아세테이트hex-2-hex-2-enyl2-Hexene-1-ol acetate2-Hexen-1-ol, 1-acetateAcetic acid 2-hexenyl esterHex-2-enylacetate(isomerunspecified)
FEMA No. 2564(2E)-hex-2-en-1-yl acetate(E)-Hex-2-enyl acetate2-Hexenyl acetate, trans-BRN 1721851XDV436N45E2-Hexen-1-yl acetate, trans-EINECS 219-680-7
데이터베이스 식별자
- CAS
10094-40-3、2497-18-9- PubChem CID
- 2733294
- DTXSID
DTXSID40879237- ChEMBL
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (trans-2-Hexenyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.890-0.897
Flavoring AgentsEU Flavoring substances
Solubility
Very slightly soluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
165.00 to 166.00 °C. @ 760.00 mm Hg
165-166 °C
Refractive Index1.424-1.430
Physical Description
Liquid
Colourless to pale yellow liquid; Powerful green, fruity aroma
물리화학적 성질
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 8% (127 of 1578) of reports.
Warning
H226 (91.9%): Flammable liquid and vapor [Warning 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 1578 reports by companies from 10 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Hexen-1-ol, acetate, (E)-
Chemical: 2-Hexen-1-ol, acetate
Regulation (EC) No 1831/2003 (amended)
2-Hexen-1-ol, 1-acetate, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, 1-acetate, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Hexen-1-ol, acetate, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (91.9%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-19877
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 6,548 lb
Consumer UsesFragrance
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexen-1-ol, 1-acetate, (2E)-: ACTIVE
공급사8 곳
吉林省创力生物科技有限公司19396231124 19396231124 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
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