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Home > Encyclopedia > 2-Ethyl-1,3-hexanediol

2-Ethyl-1,3-hexanediol

pharmaceutical raw materials
2-Ethyl-1,3-hexanediol structure

2-Ethyl-1,3-hexanediol 

structure
  • CAS No:

    94-96-2

  • Formula:

    C8H18O2

  • Chemical Name:

    2-Ethyl-1,3-hexanediol

  • Synonyms:

    1,3-Hexanediol,2-ethyl-;2-Ethyl-1,3-hexanediol;6-12;Ethohexadiol;2-Ethyl-3-propyl-1,3-propanediol;3-Hydroxymethyl-n-heptan-4-ol;Octylene glycol;Repellent 612;Rutgers 612;2-Ethyl-1,3-hexylene glycol;2-Ethylhexanediol;Diol-Kyowa 8;NSC 3881;2-Ethyl-1,3-dihydroxyhexane;1321-34-2

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

clear liquid 2-Ethyl-1,3-hexanediol is an oily, colorless, slightly viscousliquid, that is soluble in alcohol and ether but poorly solublein water (4.2% at 20°C).


2-Ethyl-1,3-hexanediol is an aliphatic alcohol.

2-Ethyl-1,3-hexanediol Basic Attributes

146.23

146.23

202-377-9

M9JGK7U88V

3881

DTXSID4025292

SLIGHTLY OILY LIQ|COLORLESS LIQUID

P - Antiparasitic products, insecticides and repellents

2905399010

Characteristics

40.5

1.25

Clear Liquid

0.9325 g/cm3 @ Temp: 22 °C

-40 °C

244.2 °C @ Press: 760 Torr

265 °F

n20/D 1.451(lit.)

H2O: 42 g/L (20 ºC)

Store below +30°C.

<0.01 hPa (20 °C)

5 (vs air)

Oral-Rat LD50: 1400 mg/kg; Oral-Mouse LD50: 1900 mg/kg

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

ODORLESS

BOTH HYDROXY GROUPS CAN BE ESTERIFIED, THE SECONDARY GROUP WITH DIFFICULTY|HYGROSCOPIC; 7.8 LB/GAL @ 20 °C|ABSOLUTE VISCOSITY: 271 CENTIPOISES

680 °F (360 °C)

Safety Information

NONH for all modes of transport

1

41

25-26-39-46

MO2625000

Xi

Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants

STABLE UNDER NORMAL STORAGE CONDITIONS

P280-P301 + P312 + P330-P305 + P351 + P338 + P310

H302 + H312-H318

|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 961 companies from 5 notifications to the ECHA C&L Inventory.|Warning|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P201, P202, P264, P280, P281, P305+P351+P338, P308+P313, P337+P313, P405, and P501

WATER OR FOAM MAY CAUSE FROTHING. "ALCOHOL" FOAM.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

... MODERATELY IRRITATING TO EYES, MUCOUS MEMBRANES, BUT NOT TO SKIN.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

moderately

SUCKER CONTROL IN TOBACCO WAS EXHIBITED BY 5% 2-ETHYL-1,3-HEXANEDIOL BY ITSELF, & ESPECIALLY WHEN COMBINED WITH MALEIC HYDRAZIDE.

LD50 Rat oral 1400 mg/kg|LD50 Mouse oral 1900 mg/kg

Drug Information

TOPICAL & IV APPLICATIONS OF (14)C LABELED 2-ETHYL-1,3-HEXANEDIOL WERE MADE TO HAIRLESS DOGS. AFTER TOPICAL ADMIN, EXCRETION WAS NEARLY COMPLETE AFTER 4-5 DAYS. RADIOACTIVITY LEVELS IN BLOOD SAMPLES WERE TOO LOW TO BE ACCURATELY MEASURED. WITHIN 48-96 HR AFTER APPLICATION ONLY SMALL AMT OF RADIOACTIVITY WAS RECOVERED FROM SKIN. RATE OF URINARY EXCRETION AFTER IV ADMIN WAS COMPARABLE TO THAT RECORDED IN HUMANS. IT IS SUGGESTED THAT PERMEABILITY OF HAIRLESS DOG'S SKIN MAY BE QUITE SIMILAR TO THAT OF HUMAN SKIN.|AN IN VITRO APPARATUS WAS USED TO STUDY SKIN EVAPORATION & PENETRATION OF MOSQUITO REPELLENTS. IN VITRO REPELLENT DURATION, CALCULATED FROM REPELLENT EVAPORATION RATES, WAS COMPARED TO IN VIVO DURATION AT THE SAME DOSE (0.3 MG/SQ CM) TO ASSESS VALIDITY OF THE MODEL. IN VITRO DURATIONS FOR 2-ETHYL-1,3-HEXANEDIOL CORRELATED WITH IN VIVO DURATIONS, ALTHOUGH IN VITRO DURATION WAS LONGER THAN IN VIVO DURATION.|PERCENTAGE PENETRATION OF 2-ETHYL-1,3-HEXANEDIOL WAS DETERMINED ON HAIRLESS DOGS AT 4 UG/SQ CM. MEAN PERCENTAGE PENETRATION INCREASED SLIGHTLY WITH INCREASED DOSE OF 2-ETHYL-1,3-HEXANEDIOL, BUT NONE OF THESE CHANGES DIFFERED SIGNIFICANTLY AT THE 95% CONFIDENCE LEVEL.

... UNABLE TO DETECT ANY METABOLITES ... WHEN ... FED TO RABBITS.

... MODERATELY IRRITATING TO EYES, MUCOUS MEMBRANES, BUT NOT TO SKIN. INGESTION CAUSES CNS DEPRESSION.|ONCE ABSORBED /THROUGH SKIN/ IT CAUSES /CNS DEPRESSION/ BUT LITTLE ORGANIC INJURY.|TWO HUNDRED TWENTY-THREE HUMAN VOLUNTEERS WERE PATCH TESTED FOR SENSITIZATION WITH THE UNDILUTED PRODUCT. THREE ... DEVELOPED MILD SKIN REDDENING; OTHERWISE NO SIGNIFICANT SIGNS OF SENSITIZATION OCCURRED.|WHEN TESTED AS A REPELLENT IN STICK FORMULATIONS CONTAINING SODIUM STEARATE, NONE SHOWED SIGNS OF IRRITATION, SENSITIZATION, OR FATIGUING OF THE SKIN. /REPELLENT FORMULATION CONTAINING SODIUM STEARATE/|ITS WIDESPREAD USE CONFIRMS ITS LACK OF HAZARD & IRRITANT PROPERTIES IN MAN.

2-ethyl-1,3-hexanediol

2-Ethyl-1,3-hexanediol Use and Manufacturing

Methods of Manufacturing

PREPD BY CATALYTIC TRIMOLECULAR CONDENSATION OF BUTYRALDEHYDE WITH MAGNESIUM ALUMINUM ETHOXIDE YIELDING THE MONOBUTYRATE OF 2-ETHYL-1,3-HEXANEDIOL, FOLLOWED BY HYDROLYSIS OF THE ESTER.|... PRODUCED COMMERCIALLY BY HYDROGENATION OF BUTYRALDOL (2-ETHYL-3-HYDROXYCAPROALDEHYDE).

Uses

Insect repellent. Used in organic synthesis to prepare polyester resin, polyester plasticizer, polyurethane resin, etc. The product is an effective insect repellent for mosquitoes and flies, and can also be used in the production of cosmetics or as a solvent for inks.


Adhesives and sealant chemicals


Adhesives and sealants

WIDELY USED IN MIXTURE (2 PARTS) WITH DIMETHYL PHTHALATE (6 PARTS) & INDALONE (2 PARTS).|GRADES: USP (AS ETHOHEXADIOL); INDUSTRIAL

Adhesive manufacturing|1,3-Hexanediol, 2-ethyl-: ACTIVE|FORMULATED PRODUCT DISCONTINUED BY UNION CARBIDE AGRICULTURAL PRODUCTS CO, INC.|... EXTENSIVE MILITARY USE HAS INDICATED ITS SAFETY & LACK OF IRRITANT PROPERTIES.|A COMPOSITION WAS PREPARED CONTAINING P-TOLUENESULFONAMIDE 75%, 2-ETHYL-1,3-HEXANEDIOL 20%, & PARAPLEX G25 5%.

ETHYL HEXANEDIOL GIVES A COLORED CMPD UPON REACTION WITH CONCN SULFURIC ACID & P-DIMETHYLAMINOBENZALDEHYDE WHICH IS DETERMINED AT 500 NM.

Cosmetics -> Solvent

Computed Properties

Molecular Weight:146.23
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.130679813
Monoisotopic Mass:146.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:73.7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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