CAS 3386-33-2 1-Chlorooctadecane (HCID 18815)

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Basic information

CAS: 3386-33-2
Standard SMILES: CCCCCCCCCCCCCCCCCCCl
InChIKey: VUQPJRPDRDVQMN-UHFFFAOYSA-N
Molecular formula: C18H37Cl
Average molar mass: 288.9 g/mol
Monoisotopic mass: 288.2583789

Names & identifiers

Preferred name: 1-Chlorooctadecane
IUPAC: 1-chlorooctadecane
English name: 1-Chlorooctadecane
Molecular formula: C18H37Cl
Molecular weight: 288.94

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 10.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 16
Heavy atoms: 19
Formal charge: 0
Complexity: 145

Experimental & physicochemical properties

Physical DescriptionLiquid

Kovats Retention Index · 3 items

2069.8；2079；2080.8

2070；346.7

2307；2312；2306；2294；2288

Physicochemical properties

Melting point: 20 · 20-24 °C
Boiling point: 157 · 157-158 °C/1.5 mmHg (lit.)
Density: 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
vapor pressure: 0.002 Pa · 0.002Pa at 25℃
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Chloroform (Slightly), Dichloromethane (Slightly)
form: liquid
color: Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 4 items

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

Chemistry & industry

Uses & manufacturing

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 items

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

Octadecane, 1-chloro-: ACTIVE

Applications · 2 items

Uses1-Chlorooctadecane has been used as internal standard for the determination of endocrine disrupters in water samples by stir bar sorptive extraction method.

General DescriptionKinetic and thermodynamic analysis of catalytic hydrodechlorination of 1-chlorooctadecane in supercritical carbon dioxide using 5% Pd supported on γ-Al2O3 has been reported. Incorporation of 1-chlorooctadecane into a host monolayer of stearic acid has been reported.