Perilla alcohol

HCID 369312CAS 18457-55-1

기본 정보

표준 SMILES: C=C(C)[C@@H]1CC=C(CO)CC1
InChIKey: NDTYTMIUWGWIMO-SNVBAGLBSA-N
분자식: C10H16O
평균 분자량: 152.23 g/mol
단동위원소 질량: 152.12011513

개요

(S)-(-)-perillyl alcohol is a perillyl alcohol in which the chiral centre has S configuration. It is an enantiomer of a (R)-(+)-perillyl alcohol.

이름 및 식별자

우선 이름: Perilla alcohol
IUPAC: [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol

이름 및 동의어

(S)-(-)-Perillyl alcohol(S)-Perillyl alcoholPerilla alcoholPerycorolle(-)-Perilla alcohol1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, (4S)-(-)-p-Mentha-1,8-dien-7-ol3UL4QIY642CHEBI:10782RefChem:45669perilla alcohol, (S)-(-)-Perillyl alcohol

이름 더 보기

18457-55-1(S)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol(-)-Perillylalcohol(S)-(?)-Perillyl alcoholMFCD00062995[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol(S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol

데이터베이스 식별자

CAS: 18457-55-1、536-59-4
PubChem CID: 369312
DTXSID: DTXSID001377983
ChEBI: CHEBI:10782
UNII: 3UL4QIY642
EC Number: 629-611-6
Nikkaji: J86.014J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 179

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

LogP3.17

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.