1-Chlorooctane

Description

1-Chlorooctane · CAS 111-85-3 · C8H17Cl. UNII E1047328LO. Boiling Point: 181.5 °C @ 760 MM HG; Melting Point: -57.8 °C; Flash Point: 70 °C.

Identification

CAS Registry Number	111-85-3
PubChem CID	8142
Molecular formula	C8H17Cl
IUPAC name	1-chlorooctane
UNII (FDA)	E1047328LO

Computed Descriptors

Molecular Weight	148.67
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	148.1018782
Monoisotopic Mass	148.1018782
Topological Polar Surface Area	0
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	181.5 °C @ 760 MM HG
Melting Point	-57.8 °C
Flash Point	70 °C
Flash Point	158 °F
Density	0.8738 @ 20 °C/4 °C
Vapor Pressure	0.95 [mmHg]
Vapor Pressure	0.95 mm Hg at 25 °C
LogP	Log P= 4.73
LogP	4.73
Heat of Vaporization	12.73 kcal/mol at 25 °C

Physical description & handling notes

• Liquid
• Colorless liquid; [HSDB]
• COLORLESS LIQUID
• INSOL IN WATER; VERY SOL IN ALCOHOL, ETHER; SLIGHTLY SOLUBLE IN CARBON TETRACHLORIDE
• SOL IN MOST ORG SOLVENTS
• At standard state = -1269.3 kcal/mol at 25 °C, as a liquid.

GHS Hazard Classification

Reported hazard statements	H304 (56.6%), H400 (86.9%), H410 (47.5%), H411 (55.1%), H227

Documented Uses

• Used to make organometallics, as an alkylating agent in organic synthesis, and as a stabilizer for dibutylmagnesium; [HSDB]
• CHEMICAL INT; IN MFR OF ORGANOMETALLICS
• CHEM INT FOR OCTYLDIALKYLAMINES & OCTYL QUATERNARY AMINES
• Used as a chemical intermediate for the synthesis of dimethyldioctylammonium chloride; tetra-n-octyltin.
• 1-Chlorooctane is used as a stabilizer for dibutylmagnesium (or n-butyl-sec-butylmagnesium).
• n-Octanol + hydrogen chloride, anhydrous (alcohol chlorination)

Synonyms

1-CHLOROOCTANE; 111-85-3; Octyl chloride; n-Octyl chloride; Octane, 1-chloro-; Capryl chloride; 1-Octyl chloride; DTXSID0021543; HSDB 5551; NSC 5406; NSC-5406; EINECS 203-915-5; E1047328LO; 1-CHLOROOCTANE [HSDB]; DTXCID501543; EC 203-915-5

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Chlorooctane?

CAS 111-85-3; molecular formula C8H17Cl; molecular weight — g/mol.

What other names is 1-Chlorooctane known by?

1-CHLOROOCTANE, 111-85-3, Octyl chloride, n-Octyl chloride, Octane, 1-chloro-, Capryl chloride.

Is 1-Chlorooctane classified as hazardous?

Hazard statements reported: H304, H400, H410, H411, H227.

What are the key physical properties of 1-Chlorooctane?

Boiling Point: 181.5 °C @ 760 MM HG; Melting Point: -57.8 °C; Flash Point: 70 °C; Flash Point: 158 °F.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.