2-Chlorooctane

HCID 12347

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 628-61-5
Standard SMILES: CCCCCCC(C)Cl
InChIKey: HKDCIIMOALDWHF-UHFFFAOYSA-N
Molecular formula: C8H17Cl
Average molar mass: 148.67 g/mol
Monoisotopic mass: 148.10187822

Names & identifiers

Preferred name: 2-Chlorooctane
IUPAC: 2-chlorooctane
English name: 2-Chlorooctane
Molecular formula: C8H17Cl
Molecular weight: 148.67

Names & synonyms

2-CHLOROOCTANEOctane, 2-chloro-2-Octyl chloride1-Methylheptyl chlorideUNII-0H8W4Y2ETW0H8W4Y2ETWNSC 5407NSC-5407EINECS 211-046-8DTXSID708707322Octyl chlorideOctane, 2chloro

Show more names

2-chloro-octan2-octylchlorideoctane,2-chloro-SEC-OCTYL CHLORIDE2-Chlorooctane,99%,pract.

1Methylheptyl chlorideRefChem:86517(+-)-2-CHLOROOCTANEDTXCID80818428211-046-8HKDCIIMOALDWHF-UHFFFAOYSA-N628-61-52-chloro-octane

Database identifiers

CAS: 628-61-5
PubChem CID: 12347
DTXSID: DTXSID70870732
UNII: 0H8W4Y2ETW
EC Number: 211-046-8
Nikkaji: J96.521I

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 52.5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Vapor Pressure1.37 [mmHg]

Physical Description · 2 items

Liquid

Liquid; [Acros Organics MSDS]

Physicochemical properties

Melting point: -41.9 °C · -41.9°C (estimate)
Boiling point: 171.9 °C · 171.9°C
Density: 0.8658 · 0.8658
refractive index: 1.4273 · 1.4273
Henry's Law Constant: 2.7 · 2.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
FDA UNII: 0 H8W4Y2ETW · 0H8W4Y2ETW
EPA Substance Registry System: 2 · Octane, 2-chloro- (628-61-5)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 410 · H410-H317
Precautionary statements: 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 1 item

Octane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 2-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)

Hazards SummaryA skin and eye irritant; May cause CNS depression; [Acros Organics MSDS] See 1-Chlorooctane. See 1-Chloropentane.

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H410-H317
Precautionary statements: P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501