CAS 2009-83-8 6-Chloro-1-hexanol (HCID 74828)

Names & identifiers

Preferred name: 6-Chloro-1-hexanol
IUPAC: 6-chlorohexan-1-ol
English name: 6-Chlorohexanol
Molecular formula: C6H13ClO
Molecular weight: 136.62

Names & synonyms

6-Chloro-1-hexanol6-Chlorohexan-1-ol2009-83-86-Chlorohexanol1-Hexanol, 6-chloro-1-Chloro-6-hydroxyhexaneHexamethylene chlorohydrin1-Chloro-6-hexanolomega-ChlorohexanolT2HIT6N5UFNSC 3700EINECS 217-925-2

Show more names

Chlorohexanol6-Chlor-1-Hexanol6-Chlorohexyl alcoholDICFC6H13CLOChloro-1-hexa

DTXSID4049240BRN 1697307AI3-61541NSC-3700EC 217-925-24-01-00-01704 (Beilstein Handbook Reference).OMEGA.-CHLOROHEXANOLDTXCID6029096

Database identifiers

CAS: 2009-83-8
PubChem CID: 74828
DTXSID: DTXSID4049240
ChEMBL: CHEMBL2260959
UNII: T2HIT6N5UF
EC Number: 217-925-2
Nikkaji: J25.055D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 39

Physicochemical properties

Melting point: 102 °C · 102 °C
Boiling point: 108 · 108-112 °C14 mm Hg(lit.)
Density: 1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
vapor pressure: 1.066 hPa · 1.066hPa at 21.1℃
refractive index: 20 · n20/D 1.456(lit.)
Flash point: 210 °F · 210 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in dimethylformamide.
form: Liquid
pka: 15.17 · 15.17±0.10(Predicted)
color: Clear colorless to pale yellow
Specific Gravity: 1.024 · 1.024
Water Solubility: 11.3 g/L · 11.3g/L at 20℃
BRN: 1697307 · 1697307
InChI: 1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey: JNTPTNNCGDAGEJ-UHFFFAOYSA-N
SMILES: OCCCCCCCl
LogP: 1.86 at · 1.86 at 30℃
CAS DataBase Reference: 2009 · 2009-83-8(CAS DataBase Reference)
FDA UNII: 2 HIT6N5UF · T2HIT6N5UF
NIST Chemistry Reference: 1 · 1-Hexanol, 6-chloro-(2009-83-8)
EPA Substance Registry System: 1 · 1-Hexanol, 6-chloro- (2009-83-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21-36/38-36/37/38-20/21/22
Safety Statements: 26 · 26-36/37-36/37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
RTECS: 9160000 · MO9160000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29055900 · 29055900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2
Toxicity: 50 · mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: MO9160000
ridadr: 2810
hs_code: 29055900
Toxicity: mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
risk_code: 20/21-36/38-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36/37-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H312+H332-H315-H319
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2
Precautionary statements: P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses6-Chloro-1-hexanol is used in the preparation of its corresponding bromide by reaction with sodium bromide using N,N-dimethylformamide and dibromomethane (2:1) as a solvent. It is utilized in the selective elimination of 6-chloro-1-hexene from esters of 6-chloro-1-hexanol.

Preparation methods · 1 item

Preparation6-Chlorohexanol can be prepared by the reaction of 1,6-hexanediol with hydrochloric acid without the use of a catalyst or cuprous chloride. It can also be synthesised by reacting 2,6-dichlorophenol with hydrochloric acid and sodium hydroxide in the presence of azobenzene.