CAS 23144-52-7 1-Octanol, 8-chloro- (HCID 90012)

Names & identifiers

Preferred name: 1-Octanol, 8-chloro-
IUPAC: 8-chlorooctan-1-ol
English name: 8-Chloro-1-octanol
Molecular formula: C8H17ClO
Molecular weight: 164.67

Names & synonyms

8-Chloro-1-octanol23144-52-71-Octanol, 8-chloro-NSC 5514EINECS 245-451-6DTXSID7066859RefChem:76772DTXCID3036816YDFAJMDFCCJZSI-UHFFFAOYSA-N8-Chlorooctan-1-ol8-Chloro-octan-1-ol8-Chloro-1-n-octanol

Show more names

1-Chlorooctan-88-chloro-1-octano1-Chlorooctan-8-ol8-Chlorooctane-1-ol

C8H17ClO8-CHLOROOCTANOLMFCD000400058-Chlor-octan-1-olMTB8K2EK3L8-chlor-1-octanolUNII-MTB8K2EK3LSCHEMBL135147

Database identifiers

CAS: 23144-52-7
PubChem CID: 90012
DTXSID: DTXSID7066859
UNII: MTB8K2EK3L
EC Number: 245-451-6
Nikkaji: J318.412I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 57.2

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 129 · 129-130 °C/11 mmHg (lit.)
Density: 0.976 g/mL · 0.976 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.458(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 15.19 · 15.19±0.10(Predicted)
form: Liquid
Specific Gravity: 0.976 · 0.976
color: Clear colorless
InChI: InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey: YDFAJMDFCCJZSI-UHFFFAOYSA-N
SMILES: C(O)CCCCCCCCl
CAS DataBase Reference: 23144 · 23144-52-7(CAS DataBase Reference)
FDA UNII: 8 K2EK3L · MTB8K2EK3L
NIST Chemistry Reference: 8 · 8-Chloro-1-octanol(23144-52-7)
EPA Substance Registry System: 1 · 1-Octanol, 8-chloro- (23144-52-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36/38
Safety Statements: 37 · 37/39-26-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29055900 · 29055900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29055900
risk_code: 36/37/38-36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Octanol, 8-chloro-: ACTIVE

Applications · 3 items

Uses8-Chloro-1-octanol may be employed for the following studies:Biosynthesis of bacteriochlorophyll c derivatives, via esterification. Preparation of new macroporous triisobutylphosphine sulphide functionalized polymers.Synthesis of series of new mesogenic azomethine diols.Synthesis of bis(4-hydroxyoctoxyphenyl)sulfone (HOS).

UsesAntifungal activity against Aspergillus niger, Trichoderma viride, Myrothecium verrucaria, Candida albicans, Trichophyton mentagrophytes, Mucor mucedo

General Description8-Chloro-1-octanol is a ω-chloro-1-alkanol.