2-Octanol, 1,1,1-trifluoro-

HCID 97804CAS 453-43-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCC(O)C(F)(F)F
InChIKey
INAIBHXNHIEDAM-UHFFFAOYSA-N
Molecular formula
C8H15F3O
Average molar mass
184.2 g/mol
Monoisotopic mass
184.10749976

Names & identifiers

Preferred name
2-Octanol, 1,1,1-trifluoro-
IUPAC
1,1,1-trifluorooctan-2-ol
English name
1,1,1-Trifluoro-2-octanol
Molecular formula
C8H15F3O
Molecular weight
184.2

Names & synonyms

1,1,1-Trifluoro-2-octanol453-43-02-Octanol, 1,1,1-trifluoro-EINECS 207-220-8NSC 42759DTXSID00883239RefChem:88850DTXCID908352871,1,1-Trifluorooctan-2-olMFCD00069163NSC-427591-(Trifluoromethyl)heptan-1-ol
Show more names
1,1,1-Trifluorooctan-2-ol97%1,1,1-Trifluorooctan-2-ol 97%
NSC427591-trifluoromethyl-heptanol1,1-Trifluoro-2-octanol2-Octanol,1,1-trifluoro-W5J8VU54KASCHEMBL50605SCHEMBL574572SCHEMBL6751750

Database identifiers

CAS
453-43-0
PubChem CID
97804
DTXSID
DTXSID00883239
UNII
W5J8VU54KA
EC Number
207-220-8
Nikkaji
J122.147G

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12

Physicochemical properties

Boiling point
170 °C · 170 °C(lit.)
Density
1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.384(lit.)
Flash point
164 °F · 164 °F
pka
12.67 · 12.67±0.20(Predicted)
EPA Substance Registry System
2 · 2-Octanol, 1,1,1-trifluoro- (453-43-0)

Safety & regulation

Safety data

wgk
3
tsca
TSCA listed
hs_code
2905190098
hazard_code
Xi
safety_code
23-24/25
hazard_class
IRRITANT

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Octanol, 1,1,1-trifluoro-: INACTIVE

Suppliers7 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

Related reactions

16 records
New reaction record

Linked notes

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