Cetyl chloroformate
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Basic information
- CAS
26272-90-2- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)Cl- InChIKey
HOQUWXSARQBQCW-UHFFFAOYSA-N- Molecular formula
- C17H33ClO2
- Average molar mass
- 304.9 g/mol
- Monoisotopic mass
- 304.216908
Names & identifiers
- Preferred name
- Cetyl chloroformate
- IUPAC
- hexadecyl carbonochloridate
- English name
- Cetyl chloroformate
- Molecular formula
- C17H33ClO2
- Molecular weight
- 304.9
Names & synonyms
Cetyl chloroformate26272-90-2hexadecyl carbonochloridateHexadecyl chloroformateCarbonochloridic acid, hexadecyl estern-hexadecyl chloroformateWRC65MY1IDpalmityloxycarbonyl chlorideChloroformic Acid Cetyl EsterEINECS 247-578-2NSC 137911NSC-137911
Show more names
Palmityl chloroformateChloroforMate cetyl esterHEXADECYL CHLOROCARBONATE? Chloro hexadecyl formateHexadecyl Chloroformate >CHLOROFORMIC ACID CETYL ESTER
DTXSID9067194EC 247-578-2FORMIC ACID, CHLORO-, HEXADECYL ESTERRefChem:575378DTXCID7037478247-578-2MFCD00035954UNII-WRC65MY1ID
Database identifiers
- CAS
26272-90-2- PubChem CID
- 97633
- DTXSID
DTXSID9067194- UNII
- WRC65MY1ID
- EC Number
- 247-578-2
- Nikkaji
- J208.249G
Properties
Computed structural propertiesFilling in
- XLogP
- 8.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 14 °C · 14 °C
- Boiling point
- 367.1 · 367.1±11.0 °C(Predicted)
- Density
- 0.923 g/mL · 0.923 g/mL at 25 °C(lit.)
- vapor pressure
- 10 Pa · 10Pa at 20℃
- refractive index
- 20 · n20/D 1.4480(lit.)
- Flash point
- 230 °F · >230 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3
- InChIKey
- HOQUWXSARQBQCW-UHFFFAOYSA-N
- SMILES
- C(Cl)(OCCCCCCCCCCCCCCCC)=O
- CAS DataBase Reference
- 26272 · 26272-90-2(CAS DataBase Reference)
- FDA UNII
- 65 MY1ID · WRC65MY1ID
- EPA Substance Registry System
- Carbonochloridic acid, hexadecyl ester (26272-90-2)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 290 · H290-H300+H310+H330-H314
- Precautionary statements
- 234 · P234-P260-P262-P264-P270-P271-P280-P284-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P233-P405-P406-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34-43
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1/8
- PackingGroup
- II
- HS Code
- 29159000 · 29159000
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 20% (37 of 185) of reports.
Warning
H290 (23.2%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P390, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Carbonochloridic acid, hexadecyl ester
REACH registered substance: Hexadecyl chloroformate (EC: 247-578-2)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesMet. Corr. 1 (23.2%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29159000
- risk_code
- 34-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1/8
- packing_group
- II
- Hazard statements
- H290-H300+H310+H330-H314
- REACH Registrations
- Active
- Precautionary statements
- P234-P260-P262-P264-P270-P271-P280-P284-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P233-P405-P406-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonochloridic acid, hexadecyl ester: ACTIVE
Applications
UsesCetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).
Related reactions
12 records
Compound notes
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