기본 정보
- CAS
544-12-7- 표준 SMILES
CC/C=C/CCO- InChIKey
UFLHIIWVXFIJGU-ONEGZZNKSA-N- 분자식
- C6H12O
- 평균 분자량
- 100.16 g/mol
- 단동위원소 질량
- 100.088815
개요
Hex-3-en-1-ol is a primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. It has a role as a plant metabolite. It is a volatile organic compound, a homoallylic alcohol, a primary alcohol and an alkenyl alcohol.
이름 및 식별자
- 우선 이름
- trans-3-Hexen-1-ol
- IUPAC
- (E)-hex-3-en-1-ol
- 영어명
- TRANS-3-HEXEN-1-OL
- 분자식
- C6H12O
- 분자량
- 100.16
이름 및 동의어
trans-3-Hexen-1-ol(E)-Hex-3-en-1-ol928-97-2trans-3-Hexenoltrans-Hex-3-en-1-ol3-Hexen-1-ol, (E)-3-Hexen-1-ol, (3E)-DTXSID10221384E0NFR5B3UDTXCID502138CHEBI:147326RefChem:933267
이름 더 보기
3-HEXEN-1-OLE-3-HexenolT3 HEXENOL(3E)-Hexenoltrans-3-Hexen-1-ol,95%3E-6OH
213-193-3(3E)-hex-3-en-1-ol(E)-3-Hexen-1-ol(3E)-3-Hexen-1-ol3E-Hexen-1-olMFCD000029603-Hexen-1-ol (c,t)trans-3-Hexen-1-ol, 97%
데이터베이스 식별자
- CAS
544-12-7、928-97-2- PubChem CID
- 5284503
- DTXSID
DTXSID1022138- ChEMBL
CHEMBL3184538- ChEBI
CHEBI:145715- UNII
- 4E0NFR5B3U
- EC Number
- 213-193-3
- Nikkaji
- J100.725D、J121.739I
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 48.1
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (trans-Hex-3-en-1-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.830-0.845
Solubility
Soluble in water and most fixed oils
Soluble (in ethanol)
Boiling Point155-157 °C
Refractive Index1.437-1.442
Physical DescriptionColourless liquid; Grassy green aroma
물리화학적 성질
- 녹는점
- 99 ℃ · 99℃
- 끓는 점
- 61 · 61-62 °C/12 mmHg (lit.)
- 밀도
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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1450 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Hexen-1-ol, (E)-
3-Hexen-1-ol, (3E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10-36
- hazard_code
- Xi
- safety_code
- 23-24/25-26
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-19873
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Hexen-1-ol, (3E)-: ACTIVE
응용 분야
출처Reported to be found in Plectranthus glandulosus Hook. f. leaf oil Cameroon (1.20%), laurel leaf oil Turkey (0.10%), and jasmine absolute China (0.05%).
용도trans-3-Hexen-1-ol stimulates the antennae of male H. cunea moths. It is also used as an organic chemical synthesis intermediate. This alcohol finds a little use in perfumery as part of “green” topnote compositions, as a modifier for its isomers, and in herbaceous fragrances, Fougères, etc.
일반 설명trans-3-Hexen-1-ol (trans 3-Hexenol) stimulates the antennae of male H. cunea moths.
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