2-(p-Tolyl)hexafluoroisopropanol

HCID 74829

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Basic information

CAS: 2010-61-9
Standard SMILES: Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIKey: AOAVZPXKNQAALI-UHFFFAOYSA-N
Molecular formula: C10H8F6O
Average molar mass: 258.16 g/mol
Monoisotopic mass: 258.0479342

Names & identifiers

Preferred name: 2-(p-Tolyl)hexafluoroisopropanol
IUPAC: 1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol
English name: Hexafluoro-2-(p-tolyl)isopropanol
Molecular formula: C10H8F6O
Molecular weight: 258.16

Names & synonyms

2010-61-9Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-2-(p-Tolyl)hexafluoroisopropanolW6HQP575VAEINECS 217-928-94-Methyl-alpha,alpha-bis(trifluoromethyl)benzyl alcoholDTXSID3062102Benzenemethanol, 4-methyl-.alpha.,.alpha.-bis(trifluoromethyl)-4-Methyl-alpha,alpha-bis(trifluoromethyl)benzenemethanol2-(P-TOLYL)-1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL4-METHYL-.ALPHA.,.ALPHA.-BIS(TRIFLUOROMETHYL)BENZENEMETHANOLRefChem:461735

Show more names

HEXAFLUORO-2-(4-TOLYL)-2-PROPANOLHexafluoroptolylpropanolHexafluoroptolylisopropanol2-(4-Methylphenyl)perfluoropropan-2-ol4-(2-Hydroxyhexafluoroisopropyl)toluene4-(HEXAFLUORO-2-HYDROXYISOPROPYL)TOLUENE

DTXCID6036201217-928-9Hexafluoro-2-(p-tolyl)isopropanolHexafluoro-2-(p-tolyl)-2-propanol1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-olHexafluoro-2-(4-methylphenyl)propan-2-olMFCD00015357Hexafluoro-2-(4-tolyl)isopropanol

Database identifiers

CAS: 2010-61-9
PubChem CID: 74829
DTXSID: DTXSID3062102
UNII: W6HQP575VA
EC Number: 217-928-9
Nikkaji: J199.819F

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 247

Physicochemical properties

Boiling point: 182 °C · 182 °C
Density: 1 · 1,25 g/cm3
refractive index: 1.424 · 1.424
Flash point: 181 · 181-182°C
pka: 9.37 · 9.37±0.15(Predicted)
form: liquid
color: clear
BRN: 2127760 · 2127760
FDA UNII: 6 HQP575VA · W6HQP575VA
EPA Substance Registry System: 4 · Benzenemethanol, 4-methyl-.alpha.,.alpha.-bis(trifluoromethyl)- (2010-61-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26-36
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2905599890 · 2905599890

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2905599890
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanol, 4-methyl-.alpha.,.alpha.-bis(trifluoromethyl)-: ACTIVE

Applications

UsesHexafluoro-2-(p-tolyl)isopropanol (CAS# 2010-61-9) can be used to produce polyurethane adhesive resin compound containing rubber particles. It can be used to produce polyurethane resin compounds and adhesive tape for mobile devices.