HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Glycol monohexyl ether

HCID 8170
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
112-25-4
Standard SMILES
CCCCCCOCCO
InChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-N
Molecular formula
C8H18O2
Average molar mass
146.23 g/mol
Monoisotopic mass
146.13067981

Overview

See also: Hexan-1-ol, ethoxylated (annotation moved to); Hexyl poly(oxyethylene) ether (annotation moved to).

Names & identifiers

Preferred name
Glycol monohexyl ether
IUPAC
2-hexoxyethanol
English name
2-(Hexyloxy)ethanol
Molecular formula
C8H18O2
Molecular weight
146.23

Names & synonyms

2-(Hexyloxy)ethanol112-25-4Ethylene glycol monohexyl ether2-Hexyloxyethanol2-HEXOXYETHANOLEthanol, 2-(hexyloxy)-Hexyl cellosolven-Hexyl cellosolveGlycol monohexyl etherCellosolve, N-hexyl-Ethylene glycol n-hexyl etherEthanol, 2-hexyloxy-
Show more names
Ethylenegylcolmono-N-hexyletherC6E1HEXYLGLYCOLhexylcellosolve2-hexyloxy-ethanon-hexyl-cellosolv
DTXSID1026908Ethylene glycol-n-monohexyl ether7P0O8282NRDTXCID606908EGHERefChem:922359203-951-12-(hexyloxy)ethan-1-ol

Database identifiers

CAS
112-25-4、31726-34-8
PubChem CID
8170
DTXSID
DTXSID1026908
ChEMBL
CHEMBL3188016
UNII
7P0O8282NR
EC Number
203-951-1
Nikkaji

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
10
Formal charge
0
Complexity
55.2

Experimental & physicochemical properties

SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
LogP · 2 items

1.57

1.86

Density · 2 items

0.8894 @ 20 °C/20 °C

Relative density (water = 1): 0.89

Color/FormWATER-WHITE LIQ
Solubility · 2 items

SLIGHTLY SOL IN WATER; VERY SOL IN ALC & ETHER

Solubility in water: poor

Flash Point · 2 items

195 °F OC

81.7 °C c.c.

Boiling Point · 2 items

208 °C @ 760 MM HG

208.3 °C

Melting Point · 2 items

-45.1 °C

-45 °C

Vapor Pressure · 3 items

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 · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.2% (1 of 431) of reports.

Danger

H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 6 items

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-

Chemical: Ethanol, 2-(hexyloxy)-

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

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

REACH registered substance: 2-hexyloxyethanol (EC: 203-951-1)

Ethylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 items

IMAP assessments - Ethanol, 2-(hexyloxy)-: Environment tier I assessment

IMAP assessments - Ethoxylates of aliphatic alcohols (>C6): Human health tier II assessment

Fire HazardsCombustible. Above 81.7 °C explosive vapour/air mixtures may be formed.
Hazards SummaryMay cause CNS depression and kidney injury; [HSDB] A severe skin, eye, and respiratory tract irritant; The substance may have effects on the blood. [ICSC] An irritant; May be absorbed through skin; [MSDSonline] See GLYCOL ETHERS.

Chemistry & industry

Pharmacology

Absorption, Distribution and ExcretionTHESE ETHERS PENETRATE INTACT SKIN. /CELLOSOLVES/

Uses & manufacturing

Uses · 5 items

Used as a high-boiling solvent; as a chemical intermediate for hexyloxyethyl phosphate and neopentanoate; [HSDB] Used as a coalescing agent in latex paints and cleaners; [eChemPortal: SIDSUNEP]

Painting (Solvents) [Category: Paint]

HIGH-BOILING SOLVENT

SOLVENT (EG, FOR SURFACE COATINGS & CLEANING SOLNS)

CHEM INT FOR HEXYLOXYETHYL PHOSPHATE & NEOPENTANOATE

U.S. Exports · 2 items

(1979) No Data

(1981) No Data

U.S. Imports · 2 items

(1979) No Data

(1981) No Data

U.S. Production · 3 items

2023: 5,000,000 - <10,000,000 lb

(1979) No Data

(1981) No Data

Consumer UsesSolvent
Industry UsesSolvent
Methods of ManufacturingREACTION OF ETHYLENE OXIDE WITH 1-HEXANOL (PRODUCT IS ISOLATED FROM THE REACTION MIXT BY VACUUM DISTILLATION)
Household ProductsInformation on 83 consumer products that contain Ethylene glycol n-hexyl ether in the following categories is provided:
General Manufacturing Information · 3 items

All Other Chemical Product and Preparation Manufacturing

Ethanol, 2-(hexyloxy)-: ACTIVE

Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-: ACTIVE

Related reactions

3 records
New reaction record
HRID 1384789 reaction equation
HRID 1384789As reactantuspto-grants-2001_07
HRID 1689605 reaction equation
HRID 1689605As reactantuspto-grants-2012_04
HRID 2120504 reaction equation
HRID 2120504As reactantuspto-grants-2004_02

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
J92.968I

0.05 [mmHg]

0.05 MM HG @ 20 °C

Vapor pressure, Pa at 20 °C: 7

Refractive IndexINDEX OF REFRACTION: 1.4291 @ 20 °C/D
Physical Description · 3 items

Liquid

Colorless hygroscopic liquid; [CHEMINFO]

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Physicochemical properties

Melting point
-45.1 ℃ · -45.1℃
Boiling point
98 · 98-99°C 0,15mm
Density
0.888 g/mL · 0.888 g/mL at 20 °C(lit.)
vapor pressure
10 Pa · 10Pa at 20℃
refractive index
20 · n20/D 1.431
Flash point
98 · 98-99°C/0.15mm
storage temp.
-15 °C · -15°C
form
clear liquid
pka
14.44 · 14.44±0.10(Predicted)
color
Colorless to Light yellow
Water Solubility
Soluble in alcohol and ether, water (9.46 g/L ).
BRN
1734691 · 1734691
Henry's Law Constant
3.2 · 3.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions
SOLVENT
InChI
1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-N
SMILES
CCCCCCOCCO || CCCCCCOCCO
LogP
1.97 at · 1.97 at 25℃
CAS DataBase Reference
112 · 112-25-4(CAS DataBase Reference)
FDA UNII
7 P0O8282NR · 7P0O8282NR
EPA Substance Registry System
Ethylene glycol monohexyl ether (112-25-4)
UNSPSC Code
12161900 · 12161900
NACRES
25 · NA.25
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
302 · H302-H311-H314
Precautionary statements
270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
C
Risk Statements
21 · 21/22-34
Safety Statements
26 · 26-36/37/39-45
RIDADR
2922 · UN 2922 8/PG 3
WGK Germany
1 · 1
RTECS
2450000 · KL2450000
F
10 · 10-23
TSCA
TSCA listed
HazardClass
6.1 · 6.1
PackingGroup
III
HS Code
29091990 · 29091990
Storage Class
6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
Hazardous Substances Data
112 · 112-25-4(Hazardous Substances Data)
REACH Registrations
Active
EC ClassificationSymbol: C; R: 21/22-34; S: (1/2)-26-36/37/39-45
Chemical DangersThe substance can presumably form explosive peroxides. Reacts violently with strong oxidants.
Physical DangersThe vapour is heavier than air.
Hazard Classes and Categories · 6 items

Acute Tox. 4 (99.5%)

Acute toxicity - category 4

Acute toxicity (ingestion) - category 4

Skin corrosion/irritation - Category 2

Flammable liquids - Category 4

Acute Tox. 4 *

Explosive Limits and PotentialExplosive limits , vol% in air: 1.2-8.1

Safety & protection

Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageSeparated from strong oxidants.
Spillage DisposalPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 81.7 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSTRICT HYGIENE!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the blood.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and Symptoms · 4 items

Cough. Sore throat. Burning sensation. Shortness of breath.

MAY BE ABSORBED! Redness. Pain.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Diarrhoea.

Human Toxicity Excerpts · 2 items

CENTRAL NERVOUS DEPRESSION AS WITH ETHYLENE GLYCOL, BUT THE ETHER DERIVATIVES PRODUCE MORE MARKED KIDNEY INJURY & HEMATURIA (APPARENTLY WITHOUT OXALIC ACID FORMATION OR CRYSTALLURIA). /CELLOSOLVES/

ACUTE TOXICITIES ARE SEVERAL TIMES GREATER THAN THAT OF ETHYLENE GLYCOL IN ANIMALS (CLINICAL DATA ARE INADEQUATE FOR VALID COMPARISONS). ETHER LINKAGE IS SUPPOSEDLY STABLE IN VIVO. /CELLOSOLVES/

Non-Human Toxicity Excerpts · 1 item

IT IS SEVERELY INJURIOUS TO EYE...CAUSING SEVERE RABBIT EYE IRRITATION & MARKED CORNEAL DAMAGE, BUT IT IS ESSENTIALLY NONIRRITATING TO THE SKIN OF RABBITS. HOWEVER, IT IS MODERATE IN TOXICITY BY SKIN ABSORPTION... BECAUSE OF ITS LOW VOLATILITY, RATS EXPOSED TO ESSENTIALLY SATURATED VAPORS WERE NOT SIGNIFICANTLY AFFECTED.

Probable Routes of Human Exposure · 1 item

...ETHYLENE GLYCOL-N-MONOHEXYL ETHER SHOULD BE HANDLED WITH GREAT CARE TO PREVENT EYE CONTACT & TO AVOID SKIN CONTACT BECAUSE OF ITS TOXICITY BY ABSORPTION. UNTIL MORE IS KNOWN IT WOULD SEEM WISE ALSO TO AVOID REPEATED EXPOSURE TO ITS VAPORS.

Toxicity DataLC (rat) > 83 ppm/4h

Safety data

F
10-23
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
KL2450000
ridadr
UN 2922 8/PG 3
hs_code
29091990
risk_code
21/22-34
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
6.1
Storage Class
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group
III
Hazard statements
H302-H311-H314
REACH Registrations
Active
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
Precautionary statements
P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazardous Substances Data
112-25-4(Hazardous Substances Data)

Applications

UsesHigh-boiling solvent.

Uses2-(n-Hexyloxy)ethanol is used as solvents in speciality printing inks and coalescing aids in surface coatings, coupling agent, rust remover, adhesives and surface cleaners.

Upstream & downstream products

Upstream raw materials

1-BromohexaneEthylene oxide1-HexanolPotassium phthalimideEthylene glycolHexanal