2-(2,4,6-Trimethylphenyl)propan-2-ol

HCID 293003
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Basic information

CAS
59660-68-3
Standard SMILES
Cc1cc(C)c(C(C)(C)O)c(C)c1
InChIKey
JFDXATFYWOLYQQ-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.27 g/mol
Monoisotopic mass
178.1357652

Names & identifiers

Preferred name
2-(2,4,6-Trimethylphenyl)propan-2-ol
IUPAC
2-(2,4,6-trimethylphenyl)propan-2-ol
English name
2-(2,4,6-Trimethylphenyl)-2-propanol
Molecular formula
C12H18O
Molecular weight
178.27

Names & synonyms

59660-68-32-(2,4,6-trimethylphenyl)propan-2-ol2-mesitylpropan-2-ol2-(2,4,6-Trimethylphenyl)-2-propanol2-mesityl-2-propanolMFCD09260837NSC159282SCHEMBL1109746SCHEMBL6025576DTXSID70975059JFDXATFYWOLYQQ-UHFFFAOYSA-NSBB089469
Show more names
α,α,2,4,6-PentamethylbenzenemethanolBenzenemethanol, α,α,2,4,6-pentamethyl-
AKOS006330854HS-6190NSC-1592822-(2,4,6-trimethyl-phenyl)-propan-2-olAE-562/43287152F393555

Database identifiers

CAS
59660-68-3
PubChem CID
293003
DTXSID
DTXSID70975059
Nikkaji
J1.177.014B

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
112 · 112.0-112.6 °C(Solv: methanol (67-56-1))
Boiling point
230.1 · 230.1±8.0 °C(Predicted)
Density
0.958 · 0.958±0.06 g/cm3(Predicted)
pka
14.65 · 14.65±0.29(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers2 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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