1-(3-Methylphenyl)ethanol

HCID 110952

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Basic information

CAS: 25675-28-9
Standard SMILES: Cc1cccc(C(C)O)c1
InChIKey: SPNHUMWMKXWVIU-UHFFFAOYSA-N
Molecular formula: C9H12O
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.088815

Names & identifiers

Preferred name: 1-(3-Methylphenyl)ethanol
IUPAC: 1-(3-methylphenyl)ethanol
English name: alpha-3-dimethylbenzyl alcohol
Molecular formula: C9H12O
Molecular weight: 136.19

Names & synonyms

1-(3-methylphenyl)ethanolRefChem:4240687287-81-21-(m-Tolyl)ethanol25675-28-91-(3-METHYLPHENYL)ETHAN-1-OL1-m-tolylethanolalpha-3-Dimethylbenzyl alcohola,3-DimethylbenzenemethanolMFCD000466351-m-tolyl-ethanolDTXSID70993652

Show more names

1-(3-Tolyl)ethanol1-(m-Methylphenyl)ethanol3,α-Dimethylbenzyl alcoholα,3-Dimethylbenzyl alcoholα,3-Dimethylbenzenemethanolalpha-(3-Methylphenyl)ethanol1-(m-Tolyl)ethanol - [T93815]m,alpha-Dimethylbenzyl alcohol

BCA15453SB469501-(3-Methylphenyl)ethanol, AldrichCPRAS-40104EN300-80998Z445987122m-TOLYLMETHYLCARBINOLEINECS 230-715-5

Database identifiers

CAS: 25675-28-9、7287-81-2
PubChem CID: 110952
DTXSID: DTXSID70993652
EC Number: 230-715-5、642-535-8
Nikkaji: J212.284G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 112 °C · 112 °C(Solv: benzene (71-43-2))
Boiling point: 210.48 °C · 210.48°C (rough estimate)
Density: 0.9974 · 0.9974
refractive index: 1.524 · 1.5240
storage temp.: Sealed in dry,Room Temperature
pka: 14.7 · 14.70±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Skin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313