기본 정보
- CAS
1576-96-1- 표준 SMILES
CC/C=C/CO- InChIKey
BTSIZIIPFNVMHF-ONEGZZNKSA-N- 분자식
- C5H10O
- 평균 분자량
- 86.13 g/mol
- 단동위원소 질량
- 86.07316494
개요
2-penten-1-ol is a primary allylic alcohol that is 2-pentene in which a hydrogen at position 1 has been replaced by a hydroxy group. It has a role as a volatile oil component and a plant metabolite. It is a primary allylic alcohol and an alkenyl alcohol.
이름 및 식별자
- 우선 이름
- 2-Penten-1-ol
- IUPAC
- (E)-pent-2-en-1-ol
- 영어명
- TRANS-2-PENTEN-1-OL
- 분자식
- C5H10O
- 분자량
- 86.13
이름 및 동의어
2-PENTEN-1-OL20273-24-9CHEBI:145349RefChem:477847606-484-5(E)-Pent-2-en-1-oltrans-2-Penten-1-ol1576-96-1trans-2-pentenol(E)-2-pentenol(2E)-2-Penten-1-ol2-Penten-1-ol, (E)-
이름 더 보기
3-PENTEN-1-OL2E-5OHEinecs 216-416-2
2-Penten-1-ol, (2E)-2-(E)-Penten-1-ol2-pentenol(2E)-PENT-2-EN-1-OLPent-2(E)-enol(E)-2-Penten-1-olMFCD000029265173J66S69
데이터베이스 식별자
- CAS
1576-96-1、20273-24-9- PubChem CID
- 5364920
- DTXSID
DTXSID90878755- ChEBI
CHEBI:145349- UNII
- 5173J66S69
- EC Number
- 216-416-2、606-484-5
- Nikkaji
- J127.237C、J261.153H
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 39.2
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.844-0.850
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point140-141 °C
Refractive Index1.427-1.433
Physical DescriptionColourless liquid; Green diffusive aroma
물리화학적 성질
- 녹는점
- 48.52 °C · 48.52°C
- 끓는 점
- 139 · 139-139.5 °C (lit.)
- 밀도
- 0.847 g/mL · 0.847 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n 20/D 1.434 (lit.)
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
2-Penten-1-ol: 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
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- safety_code
- 16
- 기존화학 물질
- KE-28045
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
용도trans-2-Penten-1-ol may be used in the synthesis of the following:leustroducsin Btrichloroacetimidate(E)-2,3,3′-trifluoro-4-(2-(trans-4-pentylcyclohexyl)ethyl)-4′-(pent-2-enyloxy)biphenyl trans-1-bromo-2-pentenetrans-1-chloro-2-pentene
일반 설명trans-2-Penten-1-ol is an allyl alcohol. It is one of the volatile compounds found in olive oil, cashew apple juice and fermented cucumber brines. The rate constants and product ion distributions of its reaction with H3O+, NO+ and O2.+ ions have been studied using selected ion flow tube (SIFT).
상·하류 제품 정보
상류 원료
관련 반응
2건
화합물 노트
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