2-Methyl-1-phenyl-2-propanol

HCID 7531CAS 100-86-7
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Grundinformationen

Standard-SMILES
CC(C)(O)Cc1ccccc1
InChIKey
RIWRBSMFKVOJMN-UHFFFAOYSA-N
Summenformel
C10H14O
Durchschnittliche Molmasse
150,22 g/mol
Monoisotopische Masse
150,10446507

Namen und Bezeichner

Bevorzugter Name
2-Methyl-1-phenyl-2-propanol
IUPAC
2-methyl-1-phenylpropan-2-ol
Lokaler Name
2-Methyl-1-phenyl-2-propanol
Englischer Name
2-Methyl-1-phenyl-2-propanol
Summenformel
C10H14O
Molmasse
150.22

Namen und Synonyme

2-Methyl-1-phenyl-2-propanol100-86-72-Methyl-1-phenylpropan-2-ol1,1-DimethylphenylethanolDMBCDimethylbenzylcarbinolBenzylpropyl alcoholFEMA No. 2393DTXSID1047601N95NCI59MIBenzeneethanol, alpha,alpha-dimethyl-PHENETHYL ALCOHOL, alpha,alpha-DIMETHYL-
Weitere Namen anzeigen
Darocur 11731-PHENYL-2-METHYL-2-PROPANOLFEMA 2393surolene
DTXCID9027601RefChem:410249202-896-02-Benzyl-2-propanolBenzyldimethylcarbinoldimethyl benzyl carbinolPhenyl-tert-butanol1,1-Dimethyl-2-phenylethanol

Datenbank-Bezeichner

CAS
100-86-7
PubChem CID
7531
DTXSID
DTXSID1047601
ChEMBL
CHEMBL3183743
ChEBI
CHEBI:195903
UNII
N95NCI59MI
EC Number
202-896-0
Nikkaji
J9.769A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Density0.972-0.977
Solubility · 2 Einträge

Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water

Soluble (in ethanol)

Boiling Point214-216 °C
Melting Point24 °C
Refractive Index1.514-1.517 (as supercooled liquid)
Physical Description · 3 Einträge

Colorless liquid or melt; mp = 23-25 deg C; [Alfa Aesar MSDS]

Solid

Colourless to pale yellow viscous liquid or white crystalline solid; Warm, herbaceous, floral aroma

Physikochemische Eigenschaften

Schmelzpunkt
23 · 23-25 °C(lit.)
Siedepunkt
94 · 94-96 °C10 mm Hg(lit.)
Dichte
0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
Dampfdruck
1 hPa · 1hPa at 25℃
FEMA
2393 · 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
Brechungsindex
20 · n20/D 1.514(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1866 reports by companies from 8 notifications to the ECHA C&L Inventory.；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, .alpha.,.alpha.-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21328

2-Methyl-1-phenyl-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence, coma, and gastritis in oral lethal-dose studies of rodents; [RTECS] Safe when used as a flavoring agent in food; [EC: EFSA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See alpha-Methylbenzyl alcohol and Phenylethyl alcohol.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Benzeneethanol, .alpha.,.alpha.-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21328

2-Methyl-1-phenyl-2-propanol: 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.
SG8050000
risk_code
22
Toxizität
The acute oral LD50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973).

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

UsesUsed as a flavoring agent; [FDA]
Household ProductsInformation on 1 consumer products that contain Dimethylbenzyl Carbinol in the following categories is provided:；• Commercial / Institutional
Use Classification · 6 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneethanol, .alpha.,.alpha.-dimethyl-: ACTIVE

Anwendungen

OccurrenceReported found in cocoa.

Verwenden2-Methyl-1-phenyl-2-propanol is used in confecting floral essences, such as lily, narcissus, jasmine and keiskei and other advanced floral essences. Its acetic ester has fresh fragrance so that it has especial value.

Darstellung

synthetischeFrom acetone and benzyl magnesium chloride or benzyl magnesium bromide.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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