기본 정보
- CAS
4440-65-7- 표준 SMILES
CC/C=C/CC=O- InChIKey
GXANMBISFKBPEX-ONEGZZNKSA-N- 분자식
- C6H10O
- 평균 분자량
- 98.14 g/mol
- 단동위원소 질량
- 98.07316494
개요
3-hexenal is a hexenal carrying an unsaturation at position 3.
이름 및 식별자
- 우선 이름
- 3-Hexenal
- IUPAC
- (E)-hex-3-enal
- 영어명
- (E)-hex-3-enal
- 분자식
- C6H10O
- 분자량
- 98.14
이름 및 동의어
3-Hexenal4440-65-7DTXSID2063470CHEBI:200303300F8DZ5ARefChem:911342DTXCID1040324FEMA NO. 3923224-659-0(E)-Hex-3-enaltrans-3-Hexenal69112-21-6
이름 더 보기
3-trans-HexenalBrn 1720172(3E)-hexenalEinecs 273-874-6
3-Hexenal, (E)-hex-3-enal(3E)-hex-3-enal3-Hexenal, trans-(E)-3-Hexenal3-Hexenal, (3E)-3-Hexenal (trans/cis mix)BS0QS8NC0S
데이터베이스 식별자
- CAS
4440-65-7、69112-21-6- PubChem CID
- 643139
- DTXSID
DTXSID701317552- ChEBI
CHEBI:20030- UNII
- BS0QS8NC0S
- EC Number
- 224-659-0、273-874-6
- Nikkaji
- J188.076D、J332.804J
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 64.6
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (3-Hexenal) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.970-0.980
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fat
soluble (in ethanol)
Boiling Point19-20 °C (20 mm Hg)
Refractive Index1.425-1.435
Physical DescriptionColourless liquid; fruity, apple-like aroma
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (136 of 136) of all reports.
Not Classified
유해성 정보
Regulatory Information
Chemical: 3-Hexenal
Chemical: 3-Hexenal, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Hexenal: Does not have an individual approval but may be used under an appropriate group standard
3-Hexenal, (3E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 3-Hexenal: Environment tier I assessment
IMAP assessments - 3-Hexenal, (E)-: Environment tier I assessment
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Not Classified
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Hexenal: ACTIVE
공급사2 곳
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