1-Chlorooctadecane (HCID 18815)

Namen und Bezeichner

Bevorzugter Name: 1-Chlorooctadecane
IUPAC: 1-chlorooctadecane
Lokaler Name: 1-Chloroctadecan
Englischer Name: 1-Chlorooctadecane
Summenformel: C18H37Cl
Molmasse: 288.94

Namen und Synonyme

1-CHLOROOCTADECANE3386-33-2Octadecyl chlorideOctadecane, 1-chloro-n-Octadecyl chlorideDTXSID302753673H8VD533IJ595INSC-5543DTXCID007536RefChem:75460222-207-7

Weitere Namen anzeigen

STEARYL CHLORIDEoctadecane,1-chloro-orooctadecane1-Chlorooctade1-Chloroctadecane1-chloro-octadecan1-ChlorooCLadecane

ChlorooctadecaneMFCD00000960stearylchlorideOctadecane, chloro-C18H37ClNSC 5543EINECS 222-207-71-Chlorooctadecane 10000 microg/mL in Dichloromethane

Datenbank-Bezeichner

CAS: 3386-33-2
PubChem CID: 18815
DTXSID: DTXSID3027536
ChEMBL: CHEMBL3187568
UNII: 73H8VD533I
EC Number: 222-207-7
Nikkaji: J595I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 10,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 16
Schwere Atome: 19
Formalladung: 0
Komplexität: 145

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Kovats Retention Index · 3 Einträge

2069.8；2079；2080.8

2070；346.7

2307；2312；2306；2294；2288

Physikochemische Eigenschaften

Schmelzpunkt: 20 · 20-24 °C
Siedepunkt: 157 · 157-158 °C/1.5 mmHg (lit.)
Dichte: 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
Dampfdruck: 0.002 Pa · 0.002Pa at 25℃
Brechungsindex: 20 · n20/D 1.451(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly)
Aggregatzustand: liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 0.03 g/L · 0.03 g/L (20 ºC)
BRN: 1703350 · 1703350
InChI: 1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey: VUQPJRPDRDVQMN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCl
LogP: 9.44 · 9.44
CAS Datenbank: 3386 · 3386-33-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · Octadecane, 1-chloro-(3386-33-2)
EPA chemische Informationen: 1 · Octadecane, 1-chloro- (3386-33-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 3.9% (5 of 129) of reports.

Warning

H315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (35.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (35.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (59.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 129 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 129 reports by companies.；There are 10 notifications provided by 124 of 129 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 · 4 Einträge

Chemical: Octadecane, 1-chloro-

Octadecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecane, 1-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24576；Status: Active Update: 17-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1479

Octadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.1%)；Skin Sens. 1 (31.8%)；Eye Irrit. 2A (35.7%)；STOT SE 3 (35.7%)；Aquatic Chronic 4 (59.7%)

Toxikologische Informationen

EPA Provisional Peer-Reviewed Toxicity Values · 3 Einträge

1-Chlorooctadecane

PDF Document

2015

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Octadecane, 1-chloro-

Octadecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecane, 1-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24576；Status: Active Update: 17-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1479

Octadecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1593 6.1/PG 3
hs_code: 29031980
RTECS-Nr.: RG0187200
risk_code: 36/37/38-63-20/22-45-40
hazard_code: Xi,T,Xn
safety_code: 26-36-45-36/37/39-23-53-36/37-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 4Skin Irrit. 2
Selbstentzündungstemperatur: 320°C

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 124,152 lb；2022: 171,252 lb；2021: 1,189,418 lb；2020: 1,030,095 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing；All Other Basic Organic Chemical Manufacturing

Octadecane, 1-chloro-: ACTIVE

Anwendungen

Verwenden1-Chlorooctadecane has been used as internal standard for the determination of endocrine disrupters in water samples by stir bar sorptive extraction method.