2-Phenyl-1-propanol (HCID 14295)

Namen und Bezeichner

Bevorzugter Name: 2-Phenyl-1-propanol
IUPAC: 2-phenylpropan-1-ol
Lokaler Name: 2-Phenylpropan-1-ol
Englischer Name: beta-Methylphenethyl alcohol
Summenformel: C9H12O
Molmasse: 136.19

Namen und Synonyme

2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732

Weitere Namen anzeigen

FEMA 27322-PHENYL PROPYL ALCOHOL3-Bromo-β2-phenylpropan-HYDRATROPAALKOHOLhydratropylalcohol

DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-

Datenbank-Bezeichner

CAS: 1123-85-9
PubChem CID: 14295
DTXSID: DTXSID8037756
ChEMBL: CHEMBL2323841
ChEBI: CHEBI:193640
UNII: 27ZYZ88DWU
EC Number: 214-379-7
Nikkaji: J69.580G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 84

Experimentelle und physikochemische Eigenschaften

Density0.971-0.978

Solubility · 2 Einträge

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Boiling Point · 2 Einträge

113.00 to 114.00 °C. @ 14.00 mm Hg

219 °C

Refractive Index1.523-1.530

Physical Description · 2 Einträge

Colorless liquid; [Alfa Aesar MSDS]

Colourless liquid; Sweet floral lilac, hyacinth type aroma

Kovats Retention Index · 3 Einträge

1144.6

1179

1975.1；1920

Physikochemische Eigenschaften

Schmelzpunkt: -37 °C · -37 °C
Siedepunkt: 110 · 110-111 °C/10 mmHg (lit.)
Dichte: 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
Dampfdruck: 3.45 hPa · 3.45hPa at 25℃
FEMA: 2732 · 2732 | BETA-METHYLPHENETHYL ALCOHOL
Brechungsindex: 20 · n20/D 1.526(lit.)
Flammpunkt: 201 °F · 201 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.79 · 14.79±0.10(Predicted)
Wichte: 1.015 · 1.015
Farbe: Colorless to Almost colorless
Geruch (Odor): 100 % · at 100.00 %. green spicy hyacinth balsam lilac honeysuckle
Geruchsart: balsamic
Biologische Quelle: synthetic
Wasserlöslichkeit: insoluble
JECFA Number: 1459 · 1459
BRN: 1906760 · 1906760
Major Application: flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey: RNDNSYIPLPAXAZ-UHFFFAOYSA-N
SMILES: CC(CO)c1ccccc1
LogP: 1.8 at · 1.8 at 20℃
CAS Datenbank: 1123 · 1123-85-9(CAS DataBase Reference)
NIST chemische Informationen: Benzeneethanol, «beta»-methyl-(1123-85-9)
EPA chemische Informationen: Benzeneethanol, .beta.-methyl- (1123-85-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.；There are 4 notifications provided by 20 of 288 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: Benzeneethanol, .beta.-methyl-

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

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards Summary · 1 Eintrag

Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Benzeneethanol, .beta.-methyl-

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

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29062900
RTECS-Nr.: SG8590000
risk_code: 22
hazard_code: Xn
safety_code: 23-24/25-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

UsesUsed as a flavoring agent; [FDA]

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibungβ-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.

Verwenden2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.

Darstellung

synthetischeBy reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known