(E)-(±)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol

1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

HCID 6436846CAS 5208-93-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
C=CC(C)(O)/C=C/C1=C(C)CCCC1(C)C
InChIKey
PZGYHDPZANRCSM-PKNBQFBNSA-N
Summenformel
C15H24O
Durchschnittliche Molmasse
220,35 g/mol
Monoisotopische Masse
220,18271539

Namen und Bezeichner

Bevorzugter Name
1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
IUPAC
(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
Lokaler Name
(E)-(±)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Englischer Name
(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Summenformel
C15H24O
Molmasse
220.35

Namen und Synonyme

Vinyl-beta-ionol5208-93-53-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olEINECS 226-006-51,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-EC 226-006-5DTXSID70884137RefChem:417000DTXCID701023604226-006-559057-30-6MFCD09751288
Weitere Namen anzeigen
vinyl-β-ionolEthylene-β-ionolEthylene-β-ionol, CAS 59057-30-63-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien...(E)-3-methyl-1-(2,6,6-trimethylcyclohex-1-enyl)penta-1,4-dien-3-ol(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol(E)-(1)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol(1E)-3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol(E)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olETHYLENE-BETA-IONOL(E)-(+/-)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-olEthylene-|A-ionolvinyl beta-ionolEINECS 261-585-8

Datenbank-Bezeichner

CAS
5208-93-5、59057-30-6
PubChem CID
6436846
DTXSID
DTXSID601154701
UNII
7TK8YYR94S
EC Number
226-006-5、261-585-8
Nikkaji
J1.633.923G、J297.942J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
16

Physikochemische Eigenschaften

Siedepunkt
315.3 · 315.3±11.0 °C(Predicted)
Dichte
0.948 · 0.948±0.06 g/cm3(Predicted)
Löslichkeit
Dichloromethane, Ether, Ethyl Acetate, Methanol
Aggregatzustand
Oil
pka
13 · 13+-.0.29(Predicted)
Farbe
Light Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 03-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17238
Hazard Classes and CategoriesSkin Sens. 1A (100%)；Aquatic Chronic 2 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 03-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17238

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE

Anbieter13 Anbieter

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南昕维医药科技有限公司18354101831 13305414159
上海艾梯西生物科技有限公司18721763493
凯试（上海）科技有限公司021-50135380 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]

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