Basic information
- CAS
2162-99-4- Standard SMILES
ClCCCCCCCCCl- InChIKey
WXYMNDFVLNUAIA-UHFFFAOYSA-N- Molecular formula
- C8.H16.Cl2
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 182.0629059
Names & identifiers
- Preferred name
- 1,8-Dichlorooctane
- IUPAC
- 1,8-dichlorooctane
- English name
- 1,8-Dichlorooctane
- Molecular formula
- C8H16Cl2
- Molecular weight
- 183.12
Names & synonyms
1,8-Dichlorooctane2162-99-4Octane, 1,8-dichloro-DTXSID4062226RefChem:73743DTXCID3036521218-490-1Octamethylene ChlorideMFCD00039393Octamethylene DichlorideD10121,8-dichloro-octane
Show more names
8-Dichlorooctane1,8-Dichloroctan_1,8-dichloro-octanTIMTEC-BB SBB008751octane,1,8-dichloro-1,8-Dichlorooctane >1,8-Dichlorooctane,98+%
EINECS 218-490-11,8-DichloroethaneHLF6ZJB5J41,8-Dichlorooctane, 98%SCHEMBL380848SBB008751AKOS015913571AS-49972
Database identifiers
- CAS
2162-99-4- PubChem CID
- 75102
- DTXSID
DTXSID4062226- UNII
- HLF6ZJB5J4
- EC Number
- 218-490-1
- Nikkaji
- J80.415K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Density1.025 @25 °C
Physicochemical properties
- Melting point
- -8 °C · -8 °C
- Boiling point
- 115 · 115-116 °C/11 mmHg (lit.)
- Density
- 1.025 g/mL · 1.025 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 228 °F · 228 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.17 g/l · 0.17g/l
- form
- clear liquid
- color
- Colorless to Light yellow
- Water Solubility
- 0.17 G/L · 0.17 G/L (20 ºC)
- BRN
- 1698111 · 1698111
- Henry's Law Constant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,8-Dichlorooctane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG III
- hs_code
- 29031980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 1,8-dichloro-: INACTIVE
Applications
Uses1,8-Dichlorooctane may be used:as adsorbate to investigate the performance of carbonaceous materials for the adsorption of emerging pollutantsto prepare the C20-backbone of 1,20-substituted eicosanes carrying phosphate headgroups and readily derivatizable thiol, maleimido, and activated carboxylic ester moietiesin the synthesis of planar-chiral imidazolium saltin the preparation of biosensorsin the fabrication of strong polymeric membranes for concentrating amino acids, having applications in food and pharmaceutical industryin the synthesis of perfluorocarbons having biomedical applications
General Description1,8-Dichlorooctane is a chloroparaffin. The non-exponentiality of proton spin-lattice relaxation in polycrystalline 1,8-dichlorooctane in Zeeman-quadrupole level-crossing experiments at various frequencies is reported. It has important synthetic applications in food, pharmaceutical, biomedical, electrical and electronic sectors.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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