1. Hexane
2. Hexanes
3. Isohexane
4. Isohexanes
1. Hexane
2. 110-54-3
3. Esani
4. Skellysolve B
5. Gettysolve-b
6. Hexanes
7. Hexyl Hydride
8. Hexan
9. Dipropyl
10. Heksan
11. Hexanen
12. Butane, Ethyl-
13. 92112-69-1
14. Normal Hexane
15. Nci-c60571
16. Nsc 68472
17. Chebi:29021
18. N-c6h14
19. Naphtha Solvent
20. Naptha Solvent
21. 2ddg612ed8
22. Ch3-[ch2]4-ch3
23. Nsc-68472
24. N-hexan
25. Esani [italian]
26. Heksan [polish]
27. Hexanen [dutch]
28. Hexane, For Hplc, >=95%
29. Normal-hexane
30. Mfcd00009520
31. 1-hexane
32. Hexane, Branched And Linear
33. Hsdb 91
34. Hydrocarbons, C>3
35. Ccris 6247
36. Einecs 203-777-6
37. Un1208
38. Unii-2ddg612ed8
39. Hexane Solution
40. Ai3-24253
41. Hexane, Hplc Plus, For Hplc, Gc, And Residue Analysis, >=95%
42. Hexh
43. N-hexane Solution
44. Hexane, For Hplc
45. Hexane, P.a.
46. N-hexane, Anhydrous
47. N-hexane, P.a.
48. N-hexane Hplc Grade
49. N-hexane, Acs Grade
50. Hexane Fraction, Purum
51. Hexane, Technical Grade
52. N-hexane, Hplc Grade
53. Hexane (solvent Grade)
54. Hexane [inci]
55. Hexane [usp-rs]
56. N-hexane [hsdb]
57. Hexane [ii]
58. Dsstox_cid_1917
59. Hexane, Anhydrous, 95%
60. N-hexane [mi]
61. Epitope Id:116866
62. Exxsol Hexane (salt/mix)
63. Hexanes Reagent Grade Acs
64. Un 1208 (related)
65. Ec 203-777-6
66. Hexane, Analytical Standard
67. Hexane, P.a., 95%
68. N-hexane [mart.]
69. Dsstox_rid_76401
70. Dsstox_gsid_21917
71. Hexane, Ar, >=99%
72. Wln: 6h
73. 68476-44-8
74. Hexane, Acs Reagent, 99%
75. Chembl15939
76. N-hexane, Environmental Grade
77. Hexane, P.a., 95.0%
78. Ligroine, Hexane (laboratory)
79. Dtxsid0021917
80. Hexane, For Hplc, >=99%
81. Hexane, Purification Grade, 95%
82. N-hexane, Spectrophotometric Grade
83. N-hexane Gc, For Residue Analysis
84. Amy22305
85. Hexane, Reagentplus(r), >=99%
86. Nsc68472
87. Zinc1532209
88. Hexane, Puriss., >=95% (gc)
89. Tox21_200777
90. Lmfa11000007
91. Stl445663
92. Hexane, Laboratory Reagent, >=95%
93. Hexane, Purum, >=98.0% (gc)
94. N-hexane 100 Microg/ml In Methanol
95. Akos000269046
96. Hexane, Uv Hplc Spectroscopic, 97%
97. Hexane, Saj First Grade, >=95.0%
98. N-hexane 1000 Microg/ml In Methanol
99. Hexane, Jis Special Grade, >=96.0%
100. Hexanes [un1208] [flammable Liquid]
101. Ncgc00248828-01
102. Ncgc00258331-01
103. Cas-110-54-3
104. Hexane, For Hplc, >=97.0% (gc)
105. Hexane, Spectrophotometric Grade, >=95%
106. Ft-0627031
107. Ft-0657006
108. H0394
109. H0405
110. H0490
111. H1197
112. Hexane, Suitable For Determination Of Dioxins
113. A802211
114. Q150440
115. J-002443
116. Hexane, Vetec(tm) Reagent Grade, Anhydrous, >=95%
117. Hexane, Puriss. P.a., Acs Reagent, >=99.0% (gc)
118. 680af2ee-a7b6-479b-bfb3-0f5354069f72
119. Hexane, >=96.0%, Suitable For Residual Phthalate Analysis
120. Hexane, For Residue Analysis, Suitable For 5000 Per Jis
121. N-hexane, 95% Min. Glass Distilled Hrgc/hplc Trace Grade
122. Hexanes, Mixture Of Isomers, For Spectroscopy, 95+%
123. Hexane, Puriss. P.a., Acs Reagent, Reag. Ph. Eur., >=99% (gc)
124. Hexane, Suitable For 1000 Per Jis, >=96.0%, For Residue Analysis
125. Hexane, Suitable For 300 Per Jis, >=96.0%, For Residue Analysis
126. Hexane, Pharmaceutical Secondary Standard; Certified Reference Material
127. Hexane, Commercial Grade (52% N-hexane, 16% 3-methylpentane, 16% Methylcyclopentane)
128. Hexane, Puriss., Absolute, Over Molecular Sieve (h2o <=0.01%), >=99.0% (gc)
129. 50981-41-4
130. Hexane, Commercial Grade (52% N-hexane, 16% 3-methylcyclopentane, 16% Methylcyclopentane)
| Molecular Weight | 86.18 g/mol |
|---|---|
| Molecular Formula | C6H14 |
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 86.109550447 g/mol |
| Monoisotopic Mass | 86.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 12 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently Bonded Unit Count | 1 |
Concentrations of about 50 g may be fatal to humans. ...
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V4 36
Hexane is absorbed through the lungs and relatively poorly absorbed through the intact skin.
Rom, W.N. (ed.). Environmental and Occupational Medicine. 2nd ed. Boston, MA: Little, Brown and Company, 1992., p. 566
Accumulation in the tissues depends on lipid content in these tissues. n-/Hexane/ is oxidized in the liver. Excretion occurs via the lungs and kidneys. ... Excretion of /hexane/ is related to dose.
Sheftel, V.O.; Indirect Food Additives and Polymers. Migration and Toxicology. Lewis Publishers, Boca Raton, FL. 2000., p. 740
The pharmacokinetics of inhaled n-hexane in rat and man were compared. In the rat metabolism was saturable. Up to 300 ppm, the metabolic rate was directly proportional to the concentration in the atmosphere, reaching 47 umol/(hr X kg). Only 17% of n-hexane was exhaled unchanged. Above 300 ppm, the amount of n-hexane in the body rose with increasing atmospheric concentrations from 1.6 up to a limiting value of 9.6, which corresponded to the thermodynamic distribution coefficient of n-hexane between the organism and the atmosphere. Up to 3000 ppm, the rate of metabolism increased to 245 umol/(hr X kg); only a slow further increase was found up to 7000 ppm (285 umol/(hr X kg). In man the steady-state concentrations of n-hexane were about 1 ppm. The metabolic clearance was 132 1/hr, and n-hexane accumulated to a factor of 2.3 in the organism. The thermodynamic distribution coefficient was calculated to be 12. Twenty per cent of n-hexane in the body was exhaled unchanged. At low concentrations the rate of metabolism of n-hexane is limited in both species by transport to the enzyme system. Under these conditions the rate of metabolism of n-hexane should not be influenced by xenobiotics which induce the n-hexane metabolizing enzyme system.
PMID:3619648 Filser JG et al; Arch Toxicol 60 (1-3): 77-80 (1987)
... Male Fischer 344 rats were exposed to 500, 1000, 3000 or 10,000 ppm (14)C-n-hexane for 6 hr and the elimination of radioactivity followed for 72 hr after exposure. The disposition of radioactivity was dose-dependent, with 12, 24, 38 and 62% of the acquired body burden excreted as n-hexane by the lung with increasing exposure concentration. In contrast, 38, 31, 27 and 18% of the body burden of radioactivity was recovered as expired (14)CO2 and 35, 40, 31 and 18% was recovered in the urine with increasing n-hexane concentration. Radioactivity remaining in the tissues and carcass 72 hr after exposure represented 6.1, 8.8, 7.4 and 5.4% of the body burden for the respective exposures. The dose-dependent elimination of radioactivity was apparently due in part to an inhibition of n-hexane metabolism, reflected by a decrease in total 14CO2 and urinary 14C excretion after 10,000 ppm exposure compared to the 3000 ppm exposure.
PMID:6821041 Bus JS, Deyo D, Cox M; Fundam Appl Toxicol 2 (5): 226-9 (1982)
For more Absorption, Distribution and Excretion (Complete) data for N-HEXANE (6 total), please visit the HSDB record page.
Different levels of physical activity, namely, rest, 25 W, and 50 W (for 12 hr followed by 12 hr at rest) were simulated to assess the impact of work load on the recommended biological exposure indices: ...free (nonhydrolyzed) 2,5-hexanedione (a metabolite of n-hexane) at the end of the shift at the end of the workweek. ... Urinary 2,5-hexanedione predicted for 50 ppm was 1.07 mg/L at 50 W and 0.92 mg/L at rest (+16%). ...
PMID:19384711 Sari-Minodier I et al; J Occup Environ Hyg 6 (7): 415-32 (2009)
Phenobarbital pre-treatment induces 2- and 3-hydroxylation /of n-hexane/ six-fold; 3,4-benzopyrene suppresses 2- and stimulates 3-hydroxylation.
The Chemical Society. Foreign Compound Metabolism in Mammals. Volume 4: A Review of the Literature Published during 1974 and 1975. London: The Chemical Society, 1977., p. 270
The major urinary metabolite in rat is 1-hexanol.
Sheftel, V.O.; Indirect Food Additives and Polymers. Migration and Toxicology. Lewis Publishers, Boca Raton, FL. 2000., p. 740
...2,5-Hexanedione is principal metabolite of this and other 6-carbon compounds... .
Schaumburg HH, Spencer PS; Ann NY Acad Sci 329 (Public Control Environ Health Hazards): 14-29 (1979)
For more Metabolism/Metabolites (Complete) data for N-HEXANE (8 total), please visit the HSDB record page.
Hexane has known human metabolites that include Hexanol.
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560
Urine (2,5-hexanedione): 15 hours; blood: 2-3 hours; fat: 64 hours; [TDR, p. 769]
TDR - Ryan RP, Terry CE, Leffingwell SS (eds). Toxicology Desk Reference: The Toxic Exposure and Medical Monitoring Index, 5th Ed. Washington DC: Taylor & Francis, 1999., p. 769
N-hexane ... causes peripheral polyneuropathy and testicular atrophy. The testicular toxicity is separate from its neurotoxicity. /The metabolite, 2,5-hexanedione (HD)/ produces gonadal toxicity by altering testicular tubulin. The HD testicular toxicity results from alterations in Sertoli cell microtubules and the altered microtubules result from pyrole-dependent cross-linking. HD toxicity is slow in onset. Initially, HD affects the cross-linking of cytoskeletal elements leading to altered protein secretions and trafficking in the Sertoli cell. Consequently, there is altered Sertoli cell-germ cell contacts and a loss of Sertoli cell paracrine support of the germ cells.
Klaassen, C.D. (ed). Casarett and Doull's Toxicology. The Basic Science of Poisons. 6th ed. New York, NY: McGraw-Hill, 2001., p. 689
2,5-Hexanedione is the toxic metabolite resulting from oxidation of /n-hexane./ ... Exposure to 2,5-hexanedione or its precursors results in a slowly progressive peripheral polyneuropathy and testicular injury. The chemical basis of the injury involves reaction of 2,5-hexanedione with protein amines, such as the epsilon-amine of lysine, to form pyrroles which further react to form protein-protein crosslinks. The target cell of injury in the testis is the supportive cell in the seminiferous epithelium, the Sertoli cell. A major function of the Sertoli cell is to nurture the dependent germ cell population by secreting seminiferous tubule fluid. 2,5-Hexanedione-induced crosslinking of the microtubule subunit protein, tubulin, leads to altered Sertoli cell microtubule-dependent transport and deficient formation of seminiferous tubule fluid, compromising germ cell viability.
PMID:11764975 Boekelheide K, Schoenfeld HA; Adv Exp Med Biol 500: 421-8 (2001)
n-Hexane's metabolism to 2,5-hexanedione decreases phosphorylation of neurofilaments, which destroys the normal cytoskeletal matrix. Neurofilament proteins are then transported down the axon where they accumulate, crosslink, and produce the giant axonal swelling that characterizes this axonopathy.
Ford MD, Delaney KA, Ling LJ, Erickson T; Clinical Toxicology. W.B. Saunders Company., Philadelphia, PA. 2001, p. 171
