4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol

alpha-IONOL

HCID 5363817CAS 25312-34-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC1=CCCC(C)(C)C1/C=C/C(C)O
InChIKey
PWDOJWCZWKWKSE-BQYQJAHWSA-N
Summenformel
C13H22O
Durchschnittliche Molmasse
194,31 g/mol
Monoisotopische Masse
194,16706532

Namen und Bezeichner

Bevorzugter Name
alpha-IONOL
IUPAC
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
Lokaler Name
4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
Englischer Name
α-Ionol
Summenformel
C13H22O
Molmasse
194.31

Namen und Synonyme

alpha-Ionol25312-34-9(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-olalpha-lonollatilureFEMA No. 3624.alpha.-IonolIonol, alpha-4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-BRN 2327829
Weitere Namen anzeigen
FEMA 3624α-IonolIONOL, ALPHAα-Ionol, CAS 25312-34-9α-Ionol (Technical Grade)
472-78-6EINECS 246-815-74QI2W5Y52KAI3-36071EINECS 207-455-6IONOL, .ALPHA.-.ALPHA.-IONOL [FHFI]3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Datenbank-Bezeichner

CAS
25312-34-9、472-78-6
PubChem CID
5363817
DTXSID
DTXSID60885294
ChEMBL
CHEMBL4445039
ChEBI
CHEBI:191484
UNII
4QI2W5Y52K
EC Number
207-455-6、246-815-7
Nikkaji
J1.281.530A、J181.800G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Density0.917-0.924
Solubility(in ethanol)
Boiling Point · 2 Einträge

127.00 °C. @ 15.00 mm Hg

127 °C (15 mm Hg)

Refractive Index1.488-1.492
Physical Descriptioncolourless liquid with a sweeter odour of ionones
Kovats Retention Index · 2 Einträge

1376；1387；1392；1392

1923；1868；1902；1904；1886；1888

Physikochemische Eigenschaften

Siedepunkt
127 °C15 · 127 °C15 mm Hg(lit.)
Dichte
0.918 g/mL · 0.918 g/mL at 20 °C(lit.)
FEMA
3624 · 3624 | ALPHA-IONOL
Brechungsindex
20 · n20/D 1.491
Flammpunkt
93.4 °C · 93.4 °C
storage temp.
Refrigerator, under inert atmosphere

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (259 of 259) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 259 of 259 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 259 of 259 reports by companies.；There are 0 notifications provided by 0 of 259 reports by companies with hazard statement code(s).；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 Information · 4 Einträge

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

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

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 Einträge

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Chemical: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

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

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
10-23
wgk
2
tsca
TSCA listed
RTECS-Nr.
EM9630050
safety_code
23-24/25
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular；Membrane

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: INACTIVE

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-: ACTIVE

Anwendungen · 3 Einträge

Beschreibungα-Ionol has the flavor of ionone, but softer and sweeter.

OccurrenceReported found in grape, raspberry and raspberry brandy

Verwendenα-Ionol is an intermediate in synthesizing Tabanone (T003450), found in oils of Trifolium pratense L. and is a potential natural antioxidant.

Anbieter41 Anbieter

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