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Chemistry

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Also known as: N-propane, Dimethylmethane, 74-98-6, Propyl hydride, Propan, A-108
Molecular Formula
C3H8
Molecular Weight
44.10  g/mol
InChI Key
ATUOYWHBWRKTHZ-UHFFFAOYSA-N
FDA UNII
T75W9911L6

Propane
A three carbon alkane with the formula H3CCH2CH3.
1 2D Structure

Propane

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propane
2.1.2 InChI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
2.1.3 InChI Key
ATUOYWHBWRKTHZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC
2.2 Other Identifiers
2.2.1 UNII
T75W9911L6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. N-propane

2. Dimethylmethane

3. 74-98-6

4. Propyl Hydride

5. Propan

6. A-108

7. Hydrocarbon Propellant A-108

8. Praseodymium Doped Ceria

9. Hc 290

10. Purifrigor P 3.5

11. R 290

12. E944

13. Ch3-ch2-ch3

14. Ins No.944

15. 130071-47-5

16. Chebi:32879

17. Ins-944

18. T75w9911l6

19. Propyldihydride

20. E-944

21. Propane Liquefied

22. Cerium Oxide, Praseodymium Doped

23. Petroleum Gas, Liquefied

24. Alkanes, C3-4

25. Hsdb 1672

26. Propane [usan:nf]

27. Hydrocarbons, C6-30

28. Einecs 200-827-9

29. Un1978

30. Hydrocarbons, C<10-linear

31. C3h8

32. Hydrocarbons, C2-4, C3-rich

33. Propylidyneradical

34. Unii-t75w9911l6

35. N-propane-

36. Propane (nf)

37. Praseodymium Nanofoil

38. Propane, 98%

39. Freon 290

40. Propane [vandf]

41. Propane [hsdb]

42. Propane [inci]

43. Propane [fcc]

44. Propane [ii]

45. Propane [mi]

46. Praseodymium Nanoparticles

47. Propane [mart.]

48. Propane, 99.97%

49. Propane [who-dd]

50. Ec 200-827-9

51. Polymeric Sialosie, P0.1

52. Propane Or Propane Mixtures

53. Chembl135416

54. Qspl 135

55. Propane, Tank For Propane Torch

56. Dtxsid5026386

57. Ultra Thin Praseodymium Nanofoil

58. Amy22280

59. Akos009159189

60. Un 1978

61. Propane, 99.95%, Messer(r) Cangas

62. 68475-59-2

63. 68476-49-3

64. 68920-07-0

65. 69430-33-7

66. C20783

67. D05625

68. Q131189

69. Molybdenum Aluminium (mo-al) Alloy Sputtering Targets

70. Propane Or Propane Mixtures [un1978] [flammable Gas]

71. 1ddb43b7-5e0d-48e4-8f15-3d3d5116098a

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 44.10 g/mol
Molecular Formula C3H8
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass44.062600255 g/mol
Monoisotopic Mass44.062600255 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

A death involving asphyxiation by propane inhalation is reported. The presence of propane was determined in blood, brain, kidney, liver, and lung by gas chromatography. The brain showed the highest level of propane, whereas the kidney exhibited the lowest level.

PMID:7391778 HAQ MZ, HAMELI AZ; J FORENSIC SCI 25 (1): 25-8 (1980)


In mice exposed to a liquid gas mixture containing propane, butane, & isobutane, (at 17, 31, & 52%, respectively), death occurred within 15 seconds of exposure. Concn of the cmpd in lung tissue were max within 1 hr of death & decreased thereafter depending on the degree of putrefaction. No residues or only traces were detected by the 15th day postmortem. Max concn were observed in the adipose tissue 4 days after death & the cmpd were still detectable by the 15th day. /Propane, butane & isobutane mixture/

PMID:475916 CANDELA RG ET AL; BOLL SOC ITAL BIOL SPER 55 (1): 38-41 (1979)


Inhalation represents the major route by which propane is absorbed systemically. Studies ... in human volunteers showed that blood levels of propane could be detected after exposure to 250-1,000 ppm. ... Compared to respiratory absorption, dermal penetration of propane can be considered to be very low. ... the distribution /in tissues/ can be expected to follow the same pattern observed for butane.

Snyder, R. (ed.) Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume 1: Hydrocarbons. Amsterdam - New York - Oxford: Elsevier, 1987., p. 263


4.2 Metabolism/Metabolites

/Propane/ is metabolized by microorganism via the malonyl succinate pathway.

European Chemicals Bureau; IUCLID Dataset, Propane (74-98-6) (2000 CD-ROM edition). Available from, as of October 13, 2006: https://esis.jrc.ec.europa.eu/


In mice ... /propane/ was converted to isopropanol and acetone following inhalation. In the presence of microsomes prepared from liver homogenate of mice, the test substance was converted in vitro to isopropanol, too. The oxidation of isopropanol to acetone occurred in the presence of alcohol dehydrogenase. The metabolites were detected in blood, liver, kidney and brain of the exposed mice.

European Chemicals Bureau; IUCLID Dataset, Propane (74-98-6) (2000 CD-ROM edition). Available from, as of October 13, 2006: https://esis.jrc.ec.europa.eu/


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