Basic information
- CAS
454-91-1- Standard SMILES
CC(O)c1cccc(C(F)(F)F)c1- InChIKey
YNVXCOKNHXMBQC-UHFFFAOYSA-N- Molecular formula
- C9H9F3O
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.06054957
Names & identifiers
- Preferred name
- 1-(3-(Trifluoromethyl)phenyl)ethanol
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]ethanol
- English name
- ALPHA-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL
- Molecular formula
- C9H9F3O
- Molecular weight
- 190.16
Names & synonyms
454-91-11-[3-(Trifluoromethyl)phenyl]ethanol1-(3-(Trifluoromethyl)phenyl)ethanolRefChem:224161alpha-Methyl-3-(trifluoromethyl)benzyl alcoholMFCD000218681-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OLa-methyl-3-trifluoromethylbenzyl alcoholalpha-Methyl-3-trifluoromethylbenzyl alcohol(1R)-1-[3-(trifluoromethyl)phenyl]ethanol1-(3-(trifluoromethyl)phenyl)ethan-1-ol.alpha.-Methyl-m-trifluoromethylbenzyl alcohol
Show more names
α- Methyl-m-benzyl Alcohol1-[3(TRIFLUOROMETHYL)PHENYL]ETHANOL1-[m-(Trifluoromethyl)phenyl]ethanol-Methyl-3-trifluoromethylbenzylalcoholMethyl 3-trifluoromethyl phenyl carbinol1-[3-(Trifluoromethyl)phenyl]ethanol,98%α-Methyl-3-(trifluoromethyl)benzylalcohol3-(Trifluoromethyl)-α-methylbenzyl alcoholα-Methyl-m-(trifluoromethyl)benzyl alcohol
3-trifluoromethylphenylethanolSCHEMBL1567373-trifluoromethylphenyl ethanolSCHEMBL1044909SCHEMBL17894211SCHEMBL27743204SCHEMBL29404730DTXSID80963381
Database identifiers
- CAS
454-91-1- PubChem CID
- 136296
- DTXSID
DTXSID80963381- EC Number
- 642-813-9
- Nikkaji
- J410.598B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 100 · 100-102 °C17 mm Hg(lit.)
- Density
- 1.249 g/mL · 1.249 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- 2 · 2-8°C
- pka
- 14.24 · 14.24±0.20(Predicted)
- form
- Liquid
- Specific Gravity
- 1.249 · 1.249
- color
- Clear colorless to slightly yellow
- CAS DataBase Reference
- 454 · 454-91-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,F
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- hazard_note
- Irritant
- safety_code
- 24/25-37/39-26
- hazard_class
- FLAMMABLE
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers70 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海药森生物科技有限公司18916117619 18916117619 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
7 records
Compound notes
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