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Substance Name: Ethohexadiol [USP]
RN: 94-96-2
UNII: M9JGK7U88V
InChIKey: RWLALWYNXFYRGW-UHFFFAOYSA-N

Note

  • Insect repellent, moderately irritating to eyes, mucous membranes, but not to skin.

Molecular Formula

  • C8-H18-O2

Molecular Weight

  • 146.2282
 

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant
  • Out-Dated Pesticide
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 1,3-Hexanediol, 2-ethyl-
  • 2-Ethyl-1,3-hexanediol
  • Ethohexadiol
  • Ethohexadiol [USP]
  • Ethyl hexanediol

Synonyms

  • 2-Ethyl-1,3-hexanediol
  • 2-Ethyl-1,3-hexylene glycol
  • 2-Ethyl-3-propyl-1,3-propanediol
  • 3-Hydroxymethyl-n-heptan-4-ol
  • 4-01-00-02597 (Beilstein Handbook Reference)
  • 6-12
  • 6-12 insect repellent
  • 6-12-Insect repellent
  • AI3-00375
  • BRN 1735324
  • Carbide 6-12
  • Caswell No. 445
  • CCRIS 4034
  • Compound 6-12 insect repellent
  • Diol-Kyowa 8
  • EC 202-377-9
  • EINECS 202-377-9
  • ENT 375
  • EPA Pesticide Chemical Code 041001
  • Ethohexadiol
  • HSDB 1716
  • Latka 612
  • Latka 612 [Czech]
  • NSC 3881
  • Octylene glycol
  • Repellent 612
  • Rutgers 612
  • UNII-M9JGK7U88V

Systematic Names

  • 1,3-Hexanediol, 2-ethyl-
  • 2-Ethylhexane-1,3-diol

Superlist Names

  • 1,3-Hexanediol, 2-ethyl-
  • 2-Ethyl-1,3-hexanediol

Registry Numbers

CAS Registry Number

  • 94-96-2

FDA UNII

  • M9JGK7U88V

Other Registry Number

  • 1321-34-2

System Generated Number

  • 0000094962

Structure Descriptors

InChI

1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3

InChIKey

RWLALWYNXFYRGW-UHFFFAOYSA-N

Smiles

CCCC(C(CC)CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 1400uL/kg (1.4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
guinea pig LD50 oral 1900uL/kg (1.9mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
guinea pig LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 oral 1900mg/kg (1900mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 52, 1978.
rabbit LD50 oral 2600mg/kg (2600mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 508, 1966.
rabbit LD50 skin 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 1, Pg. 208, 1968.
rat LC inhalation > 4800ppm/8H (4800ppm)   Union Carbide Data Sheet. Vol. 11/3/1971,
rat LD50 oral 1400mg/kg (1400mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 52, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.00E+01 deg C   EXP
Boiling Point 244 deg C   EXP
log P (octanol-water) 1.600 (none)   EST
Water Solubility 4.20E+04 mg/L 25 EXP
Henry's Law Constant 1.37E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.22E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.