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Substance Name: 2-Ethylhexyl chloride
RN: 123-04-6
UNII: 1T84ZY4DN7
InChIKey: WLVCBAMXYMWGLJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H17-Cl

Molecular Weight

  • 148.675
 
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Names and Synonyms

Name of Substance

  • 2-Ethylhexyl chloride

Synonyms

  • 1-Chloro-2-ethylhexane
  • 2-Ethylhexyl chloride
  • 3-Chloromethylheptane
  • 4-01-00-00430 (Beilstein Handbook Reference)
  • AI3-28590
  • BRN 1697456
  • EC 204-594-4
  • EINECS 204-594-4
  • NSC 8883
  • UNII-1T84ZY4DN7

Systematic Names

  • 3-(Chloromethyl)heptane
  • Heptane, 3-(chloromethyl)-

Superlist Names

  • 2-Ethylhexyl chloride
  • Heptane, 3-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 123-04-6

FDA UNII

  • 1T84ZY4DN7

Other Registry Number

  • 128399-83-7

System Generated Number

  • 0000123046

Structure Descriptors

InChI

1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

InChIKey

WLVCBAMXYMWGLJ-UHFFFAOYSA-N

Smiles

C([C@@H](CC)CCl)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 15800uL/kg (15.8mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LCLo inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 7340mg/kg (7340mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 172 deg C   EXP
log P (octanol-water) 4.450 (none)   EST
Water Solubility 100 mg/L 20 EXP
Vapor Pressure 1.2 mm Hg 20 EXP
Henry's Law Constant 2.35E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.95E-12 cm3/molecule-sec 25 EST

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