Cetyl chloroformate (HCID 97633)

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 esterChloroformic Acid Cetyl Estern-hexadecyl chloroformateWRC65MY1IDpalmityloxycarbonyl chlorideEINECS 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 properties

XLogP: 8.8
Topological polar surface area: 26.3 Å²
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

GHS classification

GHS Classification · 6 items

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]；H315 (79.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (78.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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.；Reported as not meeting GHS hazard criteria per 37 of 185 reports by companies.；There are 5 notifications provided by 148 of 185 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Carbonochloridic acid, hexadecyl ester

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984

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%)；Skin Irrit. 2 (79.5%)；Skin Sens. 1 (78.9%)

Regulatory information

Regulatory Information · 2 items

Chemical: Carbonochloridic acid, hexadecyl ester

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984

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).