2-Octen-1-ol, (2E)-

HCID 5318599CAS 18409-17-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC/C=C/CO
InChIKey
AYQPVPFZWIQERS-VOTSOKGWSA-N
분자식
C8H16O
평균 분자량
128.21 g/mol
단동위원소 질량
128.12011513

개요

(E)-oct-2-en-1-ol is a medium-chain primary fatty alcohol that is (E)-2-octene substituted by a hydroxy group at position 1. It has a role as a flavouring agent and a fragrance. It is a primary allylic alcohol, a medium-chain primary fatty alcohol and an alkenyl alcohol.

이름 및 식별자

우선 이름
2-Octen-1-ol, (2E)-
IUPAC
(E)-oct-2-en-1-ol

이름 및 동의어

trans-2-Octen-1-Ol18409-17-1(E)-Oct-2-en-1-ol2-OCTEN-1-OL(E)-2-Octen-1-ol2-Octen-1-ol, (2E)-(2E)-oct-2-en-1-ol22104-78-52-Octen-1-ol, (E)-(e)-2-octenoltrans-2-Octenol2-Octenol-1
이름 더 보기
EINECS 242-288-2K54ST7V77U(E)-oct-2-enol2-OCTEN-1-OL, TRANS-N-OCT-TRANS-2-EN-1-OLtrans-oct-2-en-1-olAI3-36043FEMA NO. 3887

데이터베이스 식별자

CAS
18409-17-1、22104-78-5
PubChem CID
5318599
DTXSID
DTXSID00885036
ChEMBL
CHEMBL2228465
ChEBI
CHEBI:142616
UNII
K54ST7V77U
EC Number
242-288-2、639-020-5
Nikkaji
J100.636C、J100.637A

물성

구조 계산 물성

XLogP
2.5
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.847-0.853
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Soluble in hexane, triacetin; Insoluble in water

Soluble (in ethanol)

Boiling Point88 °C (11 mm Hg)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 77.7% (139 of 179) of all reports.

Warning

H315 (22.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 179 reports by companies from 4 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% (89 of 89) of all reports.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Octen-1-ol, (E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Octen-1-ol, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

2-Octen-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2건

Skin Irrit. 2 (22.3%)

Not Classified

화학 및 산업

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Octen-1-ol, (2E)-: ACTIVE

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