Perilla alcohol

HCID 369312CAS 18457-55-1

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Grundinformationen

Standard-SMILES: C=C(C)[C@@H]1CC=C(CO)CC1
InChIKey: NDTYTMIUWGWIMO-SNVBAGLBSA-N
Summenformel: C10H16O
Durchschnittliche Molmasse: 152,23 g/mol
Monoisotopische Masse: 152,12011513

Überblick

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

Namen und Bezeichner

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

Namen und Synonyme

(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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 179

Experimentelle und physikochemische Eigenschaften

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

LogP3.17

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.