2-Methyl-3-phenyl-1-propanol

HCID 95640

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Basic information

CAS: 7384-80-7
Standard SMILES: CC(CO)Cc1ccccc1
InChIKey: LTZKHYYXQWNXPU-UHFFFAOYSA-N
Molecular formula: C10H14O
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.10446507

Overview

structure in first source

Names & identifiers

Preferred name: 2-Methyl-3-phenyl-1-propanol
IUPAC: 2-methyl-3-phenylpropan-1-ol
English name: 2-methyl-3-phenylpropanol
Molecular formula: C10H14O
Molecular weight: 150.22

Names & synonyms

7384-80-72-Methyl-3-phenylpropanol2-Methyl-3-phenyl-1-propanolBenzenepropanol, beta-methyl-TEN58PSM3DNSC-26440RefChem:563668230-961-32-methyl-3-phenylpropan-1-olBenzenepropanol, b-methyl-Benzenepropanol, .beta.-methyl-MFCD20386075

Show more names

Benzenepropanol, β-methyl-

NSC264402-Benzyl-1-propanol2-benzylpropanol2-Methyl-3-phenylpropane-1-ol2-Methyl-3-phenylpropyl alcoholEINECS 230-961-3beta-MethylbenzenepropanolUNII-TEN58PSM3D

Database identifiers

CAS: 7384-80-7
PubChem CID: 95640
DTXSID: DTXSID10884378
UNII: TEN58PSM3D
EC Number: 230-961-3
Nikkaji: J278.798I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 95

Physicochemical properties

Melting point: 84 °C · 84 °C
Boiling point: 244 · 244-246 °C
Density: 0.9841 g/cm3 · 0.9841 g/cm3
storage temp.: 2 · 2-8°C
pka: 15.03 · 15.03±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
FDA UNII: 58 PSM3D · TEN58PSM3D
EPA Substance Registry System: Benzenepropanol, .beta.-methyl- (7384-80-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
TSCA: TSCA listed
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.