UCSF

ZINC00895934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 9 Yes

Popular Name: 2-Phenylethanol 2-Phenylethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1321-27-3 , 1960-12-8 , 1960/12/8 , 4442-79-9 , 60-12-8 , [14383-51-8] , [538-09-0] , [60-12-8] , [98-85-1]

Other Names:

"Phenethyl alcohol, 99%"

(2-Hydroxyethyl)benzene

(2-Hydroxyethyl)cyclohexane

1-Phenyl-2-ethanol; 1-phenyl-2-ethanol (beta-phenylethanol); 2-Hydroxyethylbenzene; 2-PEA; 2-Phenethanol; 2-Phenethyl Alcohol; 2-PhenyIethanol; 2-PHENYL-ETHANOL; 2-Phenylethanol; 2-Phenylethyl alcohol; Benzeneethanol; Benzeneethanol (2-Phenylethanol); ben

1-Phenyl-2-ethanol; 2-Hydroxyethylbenzene; 2-PEA; 2-Phenethyl alcohol; 2-Phenylethanol; 2-Phenylethyl alcohol; AI3-00744; BRN 1905732; Benzeneethanol; Benzyl carbinol; Benzylcarbinol; Benzylmethanol; C8H10O; Caswell No. 655C; EINECS 200-456-2; EPA Pestici

1-Phenyl-2-ethanol;2-Hydroxyethylbenzene;2-Phenethanol;2-Phenethyl alcohol;2-PhenyIethanol;2-Phenyl-Ethanol;2-Phenylethyl alcohol;b-Hydroxyethylbenzene;Benzeneethanol;Benzeneethanol, 9CI;Benzenethanol;Benzyl carbinol;Benzyl ethyl alcohol;Benzyl-Methanol;B

2-Cyclohexylethanol

2-Cyclohexylethanol, 99%

2-Cyclohexylethyl alcohol

2-Hydroxyethylbenzene; 2-PEA; 2-PHENYL-ETHANOL; 2-Phenylethanol; 2-Phenylethyl alcohol; Benzyl carbinol; Benzylmethanol; Phenethyl alcohol; Phenylethyl alcohol; benzeneethanol; beta-PEA; beta-Phenethyl alcohol; beta-Phenylethanol; beta-Phenylethyl alcohol

2-Phenyl-Ethanol

2-Phenylethanol, 98+%

2-Phenylethanol; 60-12-8; C05853; Phenethyl alcohol; Phenylethyl alcohol

2-phenylethanol; CPD-7035; benzeneethanol; phenethanol

2-Phenylethyl alcohol

60-12-8; D00192; Phenylethyl alcohol (USP)

750

alpha-Phenethyl alcohol

Benzyl carbinol

beta-PEA

CHEBI:8096; CHEBI:44780

Cyclohexaneethanol

MFCD00001525

MFCD00002886

MFCD00004508

MFCD00047140

MFCD01711246

Nortropine

Nortropine HCl

Phenethyl alcohol

Phenethyl Alcohol (BAN); Phenylethyl Alcohol (USP)

Phenethyl alcohol, 99%

Phenethylalcohol

Phenyl Ethanol

Phenyl Ethanol(Natural)

PHENYLETHANOL

PHENYLETHYL ALCOHOL

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 2.6 -3.48 1 1 0 20 122.167 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.694 Bitter DB
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
Mp [°C] 27 Acros Organics
MP 27 - -25 Enamine Building Blocks
MP 27 - -27 Enamine Building Blocks
Melting_Point 27? Alfa-Aesar
Melting_Point 27° Alfa-Aesar
MP 28 - -27 Enamine Building Blocks
MP 29 - -27 Enamine Building Blocks
MP 29...-27 Enamine Building Blocks
ALOGPS_SOLUBILITY 1.13e+01 g/l DrugBank-experimental
Boiling_Point 206-207? Alfa-Aesar
Boiling_Point 206-207° Alfa-Aesar
BP [°C] 219 Acros Organics
Boiling_Point 219? Alfa-Aesar
Boiling_Point 219° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% APIChem
UniProt Database Links ADHN_RHOER; ALDCA_DANRE ChEBI
Therapy antimicrobial SMDC Pharmakon
Patent Database Links EP0943611; EP1074548; EP1586578; EP1964543; EP1964544; US2005019280; US2007231295; US2007269379; WO2005047249; WO2006024663; WO2006037117; WO2006054162; WO2007107739 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P301+ P312: IF SWALLOWED: Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36: Irritating to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

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