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CAS 107-07-3
PharmaCompass
  • Chemistry
CAS 107-07-3
Also known as: 2-chloroethanol, Ethanol, 2-chloro-, 107-07-3, Glycol chlorohydrin, 2-chloroethyl alcohol, Chloroethanol
Molecular Formula
C2H5ClO
Molecular Weight
80.511  g/mol
InChI Key
SZIFAVKTNFCBPC-UHFFFAOYSA-N
FDA UNII
753N66IHAN

Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.
1 2D Structure

CAS 107-07-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloroethanol
2.1.2 InChI
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
2.1.3 InChI Key
SZIFAVKTNFCBPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCl)O
2.2 Other Identifiers
2.2.1 UNII
753N66IHAN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-chloroethanol

2. Ethanol, 2-chloro-

3. 107-07-3

4. Glycol Chlorohydrin

5. 2-chloroethyl Alcohol

6. Chloroethanol

7. Glycol Monochlorohydrin

8. 2-monochloroethanol

9. Ethylchlorohydrin

10. 2-chlorethanol

11. 2-chloro-1-ethanol

12. 2-hydroxyethyl Chloride

13. Glycomonochlorhydrin

14. Beta-chloroethyl Alcohol

15. Ethylene Chlorhydrin

16. Ethene, Chlorohydrin

17. 2-chloorethanol

18. 2-chloraethanol

19. 2-cloroetanolo

20. Beta-chloroethanol

21. Aethylenechlorhydrin

22. 2-chloro-1-hydroxyethane

23. Glicol Monocloridrina

24. Ethyleen-chloorhydrine

25. Glycolmonochloorhydrine

26. Ethylene Glycol, Chlorohydrin

27. Beta-hydroxyethyl Chloride

28. Delta-chloroethanol

29. Nci-c50135

30. Z-chloroethanol

31. 2-chloro-ethanol

32. 2-chloorethanol [dutch]

33. 2-chlorethanol [german]

34. Monochlorhydrine Du Glycol

35. 2-chloraethanol [german]

36. 2-cloroetanolo [italian]

37. Ethanol, Chloro-

38. Aethylenechlorhydrin [german]

39. Ccris 859

40. Nsc 122289

41. Ethyleen-chloorhydrine [dutch]

42. .beta.-chloroethanol

43. 2-chloroethan-1-ol

44. Glycolmonochloorhydrine [dutch]

45. Hsdb 426

46. Chloroethylowy Alkohol [polish]

47. Glicol Monocloridrina [italian]

48. Monochlorhydrine Du Glycol [french]

49. Einecs 203-459-7

50. Un1135

51. .beta.-chloroethyl Alcohol

52. Brn 0878139

53. .beta.-hydroxyethyl Chloride

54. Ai3-52326

55. Chebi:28200

56. Szifavktnfcbpc-uhfffaoysa-n

57. Delta-chloroethanolchloroethylowy Alkohol [polish]

58. Mfcd00002829

59. 2-chloroethanol (ethylene Chlorohydrin)

60. Chloroethylowy Alkohol

61. Unii-753n66ihan

62. Ethylchlorhydrin

63. 2- Chloroethanol

64. 2-chloranylethanol

65. 2-chloro Ethanol

66. Ethylenechlorohydrin

67. Ethylenechlorohydrine

68. Glycomonochlorohydrin

69. Argogel™-cl

70. 2-choroethan-1-ol

71. Ethylene Chlorohydrine

72. Delta-chloroethanolchloroethylowy Alkohol

73. 2-chloro-ethan-1-ol

74. Ch2clch2oh

75. Glycol Monochlorohydri N

76. 2-chloroethanol, 99%

77. 1-chloro-2-hydroxyethane

78. Dsstox_cid_1877

79. Bmse000360

80. Ac1l18bv

81. Wln: Q2g

82. Dsstox_rid_76380

83. Dsstox_gsid_21877

84. 4-01-00-01372 (beilstein Handbook Reference)

85. 2-chloroethanol,99%

86. 753n66ihan

87. Chembl191244

88. Dtxsid1021877

89. 2-chloroethanol, 99% 50ml

90. Ctk0h6464

91. Molport-000-872-024

92. Bb_sc-7062

93. Act07200

94. Zinc8220697

95. Tox21_300043

96. Argogel(tm)-cl, 1 % Cross-linked

97. Bbl011477

98. Ls-426

99. Nsc122289

100. Stl146589

101. Akos000119040

102. Mcule-5139580173

103. Nsc-122289

104. Rp18382

105. Un 1135

106. Ncgc00247890-01

107. Ncgc00254022-01

108. 1867-09-0

109. An-22464

110. Cas-107-07-3

111. Kb-22829

112. Or034114

113. Or190218

114. Or235291

115. Or292141

116. .delta.-chloroethanolchloroethylowy Alkohol

117. Ethylene Chlorohydrin [un1135] [poison]

118. Ethylene Chlorohydrin [un1135] [poison]

119. Ft-0611939

120. X4831

121. Az0001-0066

122. 5788-ep2275417a2

123. 5788-ep2284162a2

124. 5788-ep2284163a2

125. 5788-ep2314295a1

126. 5788-ep2372017a1

127. C06753

128. 2-chloroethanol, Saj Special Grade, >=99.0%

129. Inchi=1/c2h5clo/c3-1-2-4/h4h,1-2h

130. A801572

131. 2-chloroethanol, Pestanal(r), Analytical Standard

132. 2-chloroethanol, Puriss. P.a., >=99.0% (gc)

133. I14-6282

134. J-509022

135. F1908-0073

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 80.511 g/mol
Molecular Formula C2H5ClO
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass80.003 g/mol
Monoisotopic Mass80.003 g/mol
Topological Polar Surface Area20.2 A^2
Heavy Atom Count4
Formal Charge0
Complexity10
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Minimum/Potential Fatal Human Dose

4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OUNCE FOR 70 KG PERSON (150 LB).

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-119


5 Pharmacology and Biochemistry
5.1 Pharmacology

Ethylene Chlorohydrin is an organochlorine compound and hazardous substance. Ethylene chlorohydrin is used as a solvent and in the manufacture of a variety of industrial agents.


5.2 Absorption, Distribution and Excretion

... MAY BE ABSORBED THROUGH THE SKIN.

Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 712


... MAY BE ABSORBED THROUGH ... GI TRACT, OR BY INHALATION.

Grant, W. M. Toxicology of the Eye. 2nd ed. Springfield, Illinois: Charles C. Thomas, 1974., p. 266


The excretion & tissue distribution of (14)C-labeled chloroethanol were studied in rats following single oral admin of 5 & 50 mg/kg. At both dose levels, the radioactivity was rapidly eliminated, mainly in the urine. On the first day 77.2% of the dose was found in the urine, 1.7% in the feces, and 1.0% as CO2 in the expired air. Only 2.8% was excreted by these routes during the following 3 days. The residual radioactivity after 4 days was almost equally distributed. Approx 0.4% of the dose was in the liver and 3% in the whole organism.

Grunow W, Altmann HJ; Arch Toxicol 49 (3-4): 275-84 (1982)


5.3 Metabolism/Metabolites

IN VIVO, IT IS OXIDIZED TO CHLOROACETIC ACID ... .

Browning, E. Toxicity and Metabolism of Industrial Solvents. New York: American Elsevier, 1965., p. 398


2-CHLOROETHANOL WAS GIVEN ORALLY TO RATS. LIVER GLUTATHIONE WAS RAPIDLY DEPLETED & S-CARBOXYMETHYLGLUTATHIONE WAS FORMED. TOXICITY OF 2-CHLOROETHANOL IS PROBABLY DUE TO ITS CONVERSION TO CHLOROACETALDEHYDE IN VIVO.

JOHNSON MK; BIOCHEM PHARMACOL 16 (1): 185-99 (1967)


2-chloroethanol was detected in the blood and liver of rats during the first 24 days after oral dosing of CH2ClCH2Cl /ethylene dichloride/ at 750 mg/kg.

The Royal Society of Chemistry. Foreign Compound Metabolism in Mammals. Volume 6: A Review of the Literature Published during 1978 and 1979. London: The Royal Society of Chemistry, 1981., p. 335


Disposition and metabolism of 1-(2-chloroethyl)-3-(2',3',4'-tri-O-acetylribopyranosyl)-1-nitrosourea (RPCNU) were studied in rats after labeling RPCNU with (14)C- in 3 different positions. Within the first min after injection, most of the radioactivity derived from ethyl-(14)C groups was recovered as volatile products. Among these, 2-chlorothanol was identified as a main component.

Godeneche D et al; Cancer Res 42 (2): 525-9 (1982)


Excretion and tissue distribution of (14)C-labeled chloroethanol were studied in rats following single oral administration of 5 and 50 mg/kg. Examination of the urine on DEAE-Sephadex revealed 2 metabolites which were identified by gas chromatography/mass spectroscopy analysis as thiodiacetic acid and thionyldiacetic acid. Unchanged chloroethanol, chloroacetic acid, S-carboxymethylcysteine, and sulfonyldiacetic acid were not found in the urine.

Grunow W, Altmann HJ; Arch Toxicol 49 (3-4): 275-84 (1982)


... /2-Chloroethanol/ is converted to S-carboxymethylglutathione by rat liver in vivo and in vitro.

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 4683


5.4 Biological Half-Life

The elimination half-life and clearance value for 2-chloroethanol was 40.8 min following iv admin to beagle dogs.

Martis L et al; J Toxicol Environ Health 10 (4-5): 847-56 (1982)


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