헥센(-5)-1-올

5-Hexen-1-ol

HCID 69963CAS 821-41-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCCCO
InChIKey
UIZVMOZAXAMASY-UHFFFAOYSA-N
분자식
C6H12O
평균 분자량
100.16 g/mol
단동위원소 질량
100.088815

개요

5-hexen-1-ol has been reported in Thymus vulgaris with data available.

이름 및 식별자

우선 이름
5-Hexen-1-ol
IUPAC
hex-5-en-1-ol
현지명
헥센(-5)-1-올
영어명
5-Hexen-1-ol
분자식
C6H12O
분자량
100.16

이름 및 동의어

5-Hexen-1-olHex-5-en-1-ol1-Hexen-6-ol5-HexenolUNII-57PD1RF6G757PD1RF6G7EINECS 212-477-46-hydroxy-1-hexeneAI3-347975-HEXENOL [FHFI]1-HEXENE-6-OLDTXSID2074950
이름 더 보기
헥센(-5)-1-올5-헥센-1-올5-hexeen-1-ol5-Hexen-1-ol>5-Hexen-1-ol,99%5-HEXEN-1-OL 99%6-Hydroxyhex-1-ene5-Hexen-1-ol, 97+%
FEMA NO. 43515HexenolHex5en1olRefChem:102709DTXCID0048266InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6HUIZVMOZAXAMASY-UHFFFAOYSA-N821-41-0

데이터베이스 식별자

CAS
821-41-0
PubChem CID
69963
DTXSID
DTXSID2074950
UNII
57PD1RF6G7
EC Number
212-477-4
Nikkaji
J100.726B

물성

구조 계산 물성

XLogP
1.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
7

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.845-0.849
Solubility · 2건

Soluble in water and most fixed oils

Soluble (in ethanol)

Boiling Point154-155 °C

물리화학적 성질

녹는점
-20 °C · <-20°C
끓는 점
78 · 78-80 °C/25 mmHg (lit.)
밀도
0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.435(lit.)
FEMA
4351 · 4351 | 5-HEXENOL
인화점
117 °F · 117 °F

화학적 성질

Clear, colorless liquid with a green aroma.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 26.3% (55 of 209) of reports.

Danger

H226 (36.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23764

5-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.
Hazard Classes and CategoriesFlam. Liq. 3 (36.4%)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 1987 3/PG 3
HS 번호
29052290
risk_code
10
hazard_code
F

화학 및 산업

용도 및 제조

Use Classification · 5건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

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 Information5-Hexen-1-ol: ACTIVE

응용 분야

용도5-Hexen-1-ol is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.

제조 방법

5-hexen-1-ol may be prepared from 2-(chloromethyl)tetrahydropyran according to the literature procedure for the preparation of 4-penten-1-ol (Brooks, L. A.; Snyder, H. R. Org. Synth. Coll. Vol. III 1955, 698).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

관련 반응

47건
반응 기록 만들기

연결된 노트

불러오는 중…