4-Phenyl-3-buten-2-ol

4-Phenylbut-3-en-2-ol

HCID 15172CAS 17488-65-2

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Grundinformationen

Standard-SMILES: CC(O)C=Cc1ccccc1
InChIKey: ZIJWGEHOVHJHKB-UHFFFAOYSA-N
Summenformel: C10H12O
Durchschnittliche Molmasse: 148,2 g/mol
Monoisotopische Masse: 148,088815

Überblick

4-Phenyl-3-buten-2-ol has been reported in Elsholtzia pilosa and Chrysanthemum morifolium with data available.

Namen und Bezeichner

Bevorzugter Name: 4-Phenylbut-3-en-2-ol
IUPAC: 4-phenylbut-3-en-2-ol
Lokaler Name: 4-Phenyl-3-buten-2-ol
Englischer Name: 4-phenyl-3-buten-2-ol
Summenformel: C10H12O
Molmasse: 148.2

Namen und Synonyme

4-phenylbut-3-en-2-olRefChem:5264063-Buten-2-ol, 4-phenyl-17488-65-24-Phenyl-3-buten-2-olMethylstyrylcarbinol1-methyl-3-phenyl-2-propen-1-ol4-phenyl-3-buten-2ol4-phenyl-but-3-ene-2-olSCHEMBL295663SCHEMBL5958250SCHEMBL7381054

Weitere Namen anzeigen

1-StyrylethanolStyrylmethylcarbinol1-Phenyl-1-buten-3-olLabetalol Impurity 32TRANS-4-PHENYL-3-BUTEN-2-OL3-Hydroxy-1-phenyl-1-butene1-Methyl-3-phenyl-2-propene-1-ol

DTXSID90864779WLZ3162DB-367944NS00084969

Datenbank-Bezeichner

CAS: 17488-65-2
PubChem CID: 15172
DTXSID: DTXSID90864779
EC Number: 241-501-6

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: 123

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (4-Phenyl-3-buten-2-ol) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.006-1.012

Flavoring AgentsEU Flavoring substances

Solubility · 2 Einträge

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point140 °C (12 mm Hg)

Physikochemische Eigenschaften

Schmelzpunkt: 39 · 39-41℃
Siedepunkt: 269 ℃ · 269℃ (760 Torr)
Dichte: 1.023 · 1.023±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex: 1.5726 · 1.5726 (589.3 nm 20℃)
FEMA: 2880 · 2880 | 4-PHENYL-3-BUTEN-2-OL
Flammpunkt: 122 ℃ · 122℃ (760 Torr)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.68 · 14.68±0.20(Predicted)
Farbe: White to Off-White
Geruch (Odor): 100 % · at 100.00 %. sweet fruity floral balsam
Geruchsart: floral
JECFA Number: 819 · 819
LogP: 2.04 · 2.04
EPA chemische Informationen: 3 · 3-Buten-2-ol, 4-phenyl- (17488-65-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Not Classified

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 3-Buten-2-ol, 4-phenyl-

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

3-Buten-2-ol, 4-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

IFRA Fragrance Standards · 6 Einträge

4-Phenyl-3-buten-2-ol

3-Buten-2-ol, 4-phenyl-; 4-Phenylbut-3-en-2-ol; Methyl styryl carbinol

IFRA_STD_198.pdf

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information3-Buten-2-ol, 4-phenyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6 Einträge

0.22 [Products applied to the lips]

0.066 [Products applied to the axillae]

1.3 [Products applied to the face/body using fingertips]

1.2 [Products related to fine fragrances]

0.32 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

Anwendungen · 1 Eintrag

Verwenden4-Phenyl-3-buten-2-ol can be used as reagent/reactant for rhodium-catalyzed dynamic kinetic enantio-, chemo- and regioselective allylation of phenols/naphthols/hydroxypyridines with allylic carbonates. It can also be used in biological study for comparative study on quality of soy sauce produced from whole soybeans and defatted soybeans.