Basic information
- CAS
141022-99-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)C(F)(F)F- InChIKey
MAHYXYTYTLCTQD-UHFFFAOYSA-N- Molecular formula
- C17H31F3O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.23270009
Overview
Palmityl Trifluoromethyl Ketone is an alpha-haloketone.
Names & identifiers
- Preferred name
- 2-Heptadecanone, 1,1,1-trifluoro-
- IUPAC
- 1,1,1-trifluoroheptadecan-2-one
- English name
- PACOCF3
- Molecular formula
- C17H31F3O
- Molecular weight
- 308.42
Names & synonyms
2-Heptadecanone, 1,1,1-trifluoro-1,1,1-Trifluoro-2-heptadecanoneRefChem:472807634-260-7PACOCF31,1,1-trifluoroheptadecan-2-one141022-99-3palmityl trifluoromethyl ketoneCHEMBL99344PalmityltrifluoromethylketoneSR-01000597566C17H31F3O
Show more names
PTKCAKBFAK2PTK2BFADK2CADTKRAFTKPACOCF?
MFCD00797669Tocris-1460Palmityltrifluorometylketoneorb1704927SCHEMBL46536111,1,1-triluoroheptadecan-2-oneDTXSID00274441CHEBI:186740
Database identifiers
- CAS
141022-99-3- PubChem CID
- 4670
- DTXSID
DTXSID00274441- ChEMBL
CHEMBL99344- ChEBI
CHEBI:186740- EC Number
- 634-260-7
- Nikkaji
- J746.028G
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 329 · 329.0±37.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- RTECS
- 3927000 · MI3927000
- Flash point
- 14 ℃ · 14℃
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in DMSO
- form
- Liquid
- color
- White to off-white
- biological source
- synthetic (organic)
- Specific Activity
- 216 · 216-292nmol/min·mg
- InChI
- 1S/C17H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17(18,19)20/h2-15H2,1H3
- InChIKey
- MAHYXYTYTLCTQD-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCC(=O)C(F)(F)F
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
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 38 reports by companies from 1 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN1170 - class 3 - PG 2 - Ethanol, solution
- risk_code
- 36/37/38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi,F
- safety_code
- 26-36-16
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H315-H319-H360D
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P202-P264-P280-P302+P352-P305+P351+P338-P308+P313
Chemistry & industry
Applications
DescriptionPTK is an analog of palmitic acid in which the COOH group is replaced by trifluoromethyl ketone. In P388D1 cells, PTK inhibits iPLA2 activity with an IC50 value of 3.8 μM. A related compound, ATK is a less potent inhibitor of iPLA2 with an IC50 value of 15 μM. PTK also inhibits the activity of cPLA2 with an IC50 value almost identical to that of ATK.
UsesPACOCF3 is an inductors of BLM, an artificial lipid membranes and liposome permeabilization. Phospholipase A2 inhibitor.
Suppliers22 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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