(S)-(-)-1,1,1-Trifluoroheptan-2-ol
Basic information
- CAS
130025-35-3- Standard SMILES
CCCCC[C@H](O)C(F)(F)F- InChIKey
YFVHSPAONQXAIB-LURJTMIESA-N- Molecular formula
- C7H13F3O
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.09184952
Names & identifiers
- Preferred name
- (S)-(-)-1,1,1-Trifluoroheptan-2-ol
- IUPAC
- (2S)-1,1,1-trifluoroheptan-2-ol
- English name
- (S)-(-)-1,1,1-Trifluoroheptan-2-ol
- Molecular formula
- C7H13F3O
- Molecular weight
- 170.17
Names & synonyms
(S)-(-)-1,1,1-Trifluoroheptan-2-olRefChem:407648(2S)-1,1,1-trifluoro-2-heptanol621-510-5130025-35-3(S)-1,1,1-Trifluoroheptan-2-ol(2S)-1,1,1-trifluoroheptan-2-ol(2S)-(-)-1,1,1-Trifluoroheptan-2-olSCHEMBL23489753DTXSID60427259YFVHSPAONQXAIB-LURJTMIESA-NSBB088410
Show more names
DAIKIN CHR15A(S)-(-)-1,1,1-TRIFLUOROHEPTAN-2-OL (+GT(S)-(-)-1,1,1-TRIFLUOROHEPTAN-2-OL, >98%(2S)-(-)-2-Hydroxy-1,1,1-trifluoroheptane(S)-(-)-1,1,1-Trifluoroheptan-2-ol (>98%ee)
AKOS0063374002-Heptanol, 1,1,1-trifluoro-, (2S)-(S)-(-)-1,1,1-Trifluoroheptan-2-ol, 97%
Database identifiers
- CAS
130025-35-3- PubChem CID
- 7020596
- DTXSID
DTXSID60427259- EC Number
- 621-510-5
- Nikkaji
- J3.440.637E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 151 °C · 151 °C(lit.)
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.377(lit.)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 2905190098 · 2905190098
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2905190098
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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