CAS 112-58-3 Dihexyl ether (HCID 8198)

Names & identifiers

Preferred name: Dihexyl ether
IUPAC: 1-hexoxyhexane
English name: DIHEXYL ETHER
Molecular formula: C12H26O
Molecular weight: 186.33

Names & synonyms

Dihexyl ether112-58-3Hexyl etherN-Hexyl etherHexane, 1,1'-oxybis-DI-N-HEXYL ETHERBis(1-hexyl)etherBis(1-hexyl) ether1,1'-Oxybis(hexane)NSC 9286EINECS 203-987-8BRN 1738177

Show more names

n-hexylether,dihexylHexylEther>Ether, dihexyl1-hexoxyhexane

AI3-01454W1U07QA435NSC-9286UNII-W1U07QA435DTXSID8059421EC 203-987-84-01-00-01698 (Beilstein Handbook Reference)Dinhexyl ether

Database identifiers

CAS: 112-58-3
PubChem CID: 8198
DTXSID: DTXSID8059421
UNII: W1U07QA435
EC Number: 203-987-8
Nikkaji: J1.996H

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 13
Formal charge: 0
Complexity: 71

Experimental & physicochemical properties

Vapor Pressure0.04 [mmHg]

Physical Description · 2 items

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3 items

1265；1228；1269；1269；1265；1287

1264

1367；1368；1349；1359；1368

Physicochemical properties

Melting point: -43 °C · -43°C
Boiling point: 228 · 228-229 °C(lit.)
Density: 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
vapor pressure: 15 Pa · 15Pa at 20℃
refractive index: 20 · n20/D 1.4204(lit.)
Flash point: 173 °F · 173 °F
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: Fully miscible in water.
BRN: 1738177 · 1738177
Henry's Law Constant: 2.9 · 2.9×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: BPIUIOXAFBGMNB-UHFFFAOYSA-N
SMILES: CCCCCCOCCCCCC
LogP: 4.98 · 4.98
CAS DataBase Reference: 112 · 112-58-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 U07QA435 · W1U07QA435
EPA Substance Registry System: 1 · Hexane, 1,1'-oxybis- (112-58-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H410
Precautionary statements: 261 · P261-P272-P273-P280-P302+P352-P333+P313
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Risk Statements: 66 · 66
Safety Statements: 26 · 26-36/37/39
WGK Germany: 2 · 2
RTECS: 8600000 · KN8600000
TSCA: TSCA listed
HS Code: 2909.19 · 2909.19.1800
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1B
Toxicity: 885 mg/kg · mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

H413 (90.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- 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)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Hazards SummaryA mild skin irritant; Causes altered sleep time (including change in righting reflex) in intravenous lethal-dose studies of mice; [RTECS] A mild skin irritant; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 3 items

n-Hexyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAquatic Chronic 4 (90.5%)

Regulatory information

Regulatory Information · 3 items

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- 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)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 2
tsca: TSCA listed
rtecs: KN8600000
hs_code: 2909.19.1800
Toxicity: mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
risk_code: 66
Signal word: Warning
Symbol(GHS): GHS07,GHS09
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H317-H410
REACH Registrations: Active
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1B
Precautionary statements: P261-P272-P273-P280-P302+P352-P333+P313

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 322,977 lb；2022: 26,455 lb；2021: 495,930 lb；2020: 257,610 lb

Industry UsesCleaning agent；Solvent

General Manufacturing Information · 2 items

Oil and Gas Drilling, Extraction, and Support activities

Hexane, 1,1'-oxybis-: ACTIVE

Applications · 3 items

UsesExtraction processes, manufacture of collodion, photographic film, and smokeless powder.

UsesDihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS.

UsesDihexyl ether has been used as:supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particlesan extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS