Hexadecylchlorformiat

Cetyl chloroformate

HCID 97633CAS 26272-90-2

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCCOC(=O)Cl
InChIKey: HOQUWXSARQBQCW-UHFFFAOYSA-N
Summenformel: C17H33ClO2
Durchschnittliche Molmasse: 304,9 g/mol
Monoisotopische Masse: 304,216908

Namen und Bezeichner

Bevorzugter Name: Cetyl chloroformate
IUPAC: hexadecyl carbonochloridate
Lokaler Name: Hexadecylchlorformiat
Englischer Name: Cetyl chloroformate
Summenformel: C17H33ClO2
Molmasse: 304.9

Namen und Synonyme

Cetyl chloroformate26272-90-2hexadecyl carbonochloridateHexadecyl chloroformateCarbonochloridic acid, hexadecyl esterChloroformic Acid Cetyl Estern-hexadecyl chloroformateWRC65MY1IDpalmityloxycarbonyl chlorideEINECS 247-578-2NSC 137911NSC-137911

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 26272-90-2
PubChem CID: 97633
DTXSID: DTXSID9067194
UNII: WRC65MY1ID
EC Number: 247-578-2
Nikkaji: J208.249G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 16
Schwere Atome: 20
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Schmelzpunkt: 14 °C · 14 °C
Siedepunkt: 367.1 · 367.1±11.0 °C(Predicted)
Dichte: 0.923 g/mL · 0.923 g/mL at 25 °C(lit.)
Dampfdruck: 10 Pa · 10Pa at 20℃
Brechungsindex: 20 · n20/D 1.4480(lit.)
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: clear liquid
Farbe: 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 Datenbank: 26272 · 26272-90-2(CAS DataBase Reference)
EPA chemische Informationen: Carbonochloridic acid, hexadecyl ester (26272-90-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Carbonochloridic acid, hexadecyl ester

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

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-43
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 6.1/8
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCarbonochloridic acid, hexadecyl ester: ACTIVE

Anwendungen

VerwendenCetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).