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CAS 111-29-5 manufacturers and suppliers on PharmaCompass

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CAS 111-29-5
Also known as: Pentane-1,5-diol, 111-29-5, 1,5-dihydroxypentane, Pentamethylene glycol, 1,5 pentanediol, 1,5-pentylene glycol
Molecular Formula
C5H12O2
Molecular Weight
104.15  g/mol
InChI Key
ALQSHHUCVQOPAS-UHFFFAOYSA-N
FDA UNII
07UXZ0SCST

1 2D Structure

CAS 111-29-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pentane-1,5-diol
2.1.2 InChI
InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
2.1.3 InChI Key
ALQSHHUCVQOPAS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCO)CCO
2.2 Other Identifiers
2.2.1 UNII
07UXZ0SCST
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,5-pentanediol, Disodium Salt

2. 1,5-pentanediol, Sodium Salt

3. 1,5-pentanediol, Titanium (4+) Salt (4:1)

4. Pentane-1,5-diol

2.3.2 Depositor-Supplied Synonyms

1. Pentane-1,5-diol

2. 111-29-5

3. 1,5-dihydroxypentane

4. Pentamethylene Glycol

5. 1,5 Pentanediol

6. 1,5-pentylene Glycol

7. 1,5-pentamethylene Glycol

8. Alpha,omega-pentanediol

9. Nsc 5927

10. 1,5-pentandiol

11. .alpha.,.omega.-pentanediol

12. 1,5-pentane-d10-diol

13. Einecs 203-854-4

14. Unii-07uxz0scst

15. 07uxz0scst

16. Brn 1560130

17. Ai3-03318

18. Dtxsid2041256

19. Nsc-5927

20. Ec 203-854-4

21. 1219804-42-8

22. 4-01-00-02540 (beilstein Handbook Reference)

23. Pentylene Gylcol

24. 1,5-pentanodiol

25. 1.5-pentanediol

26. 9je

27. Pentan-1,5-diol

28. 1,5-pentane Diol

29. Penta-1,5-diol

30. .omega.-pentanediol

31. Mfcd00002978

32. Pentane Diol-1,5

33. 1 5-dihydroxypentane

34. Pentanediol, 1,5-

35. 1 5-pentamethylene Glycol

36. 1,5-pentanediol, 96%

37. Wln: Q5q

38. Ho(ch2)5oh

39. Schembl18788

40. Chembl448289

41. 1,5-pentanediol [mi]

42. Dtxcid0021256

43. Hsdb 6807

44. 1,5-pentanediol [inci]

45. Nsc5927

46. Chebi:185431

47. Tox21_300880

48. Akos009158215

49. Cs-w020635

50. Ncgc00248201-01

51. Ncgc00254784-01

52. Bp-30035

53. Cas-111-29-5

54. Ls-101645

55. Ft-0606982

56. P0050

57. 1,5-pentanediol, Purum, >=95.0% (gc)

58. 1,5-pentanediol, Purum, >=97.0% (gc)

59. D77911

60. En300-122591

61. H-1745

62. 1,5-pentanediol, Vetec(tm) Reagent Grade, 96%

63. A802337

64. Q161557

65. J-002554

66. F0001-0238

67. 31784-47-1

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 104.15 g/mol
Molecular Formula C5H12O2
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area40.5
Heavy Atom Count7
Formal Charge0
Complexity25.3
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 Therapeutic Uses

1,5-Pentanediol has been reported to have antimicrobial and antifungal properties in pharmaceutical applications. Additionally, 1,5-pentanediol has reported uses in products for hair loss, cold sores, nail problems, dry and scaly feet, and eczema; it can be used as a moisturizing substance and solvent.

Cosmetic Ingredient Review; Safety Assessment of Alkane Diols as Used in Cosmetics: Tentative Report for Public Comment (April 2017). Available from, as of June 12, 2017: https://www.cir-safety.org/ingredients


A controlled, double-blind comparative study was conducted to evaluate the treatment of atopic dermatitis with hydrocortisone and 1,5-pentanediol. Patients with atopic dermatitis were treated 2x/day with either 1% hydrocortisone (n=31) or 1% hydrocortisone with 25% 1,5-pentanediol (n=32) in a cream formulation for 6 weeks. Quantitative bacteria cultures were taken for Staphylococcus aureus (commonly seen in the skin of atopic dermatitis patients) from the lesional skin prior to treatment and at weeks 2, 4, and 6 of treatment. The results indicated that the hydrocortisone-only formulation was effective for 68% of the patients in that test group; the hydrocortisone plus 1,5-pentanediol formulation was effective for 69% in that group. There was a statistically significant reduction in S. aureus (baseline to week 2 and baseline to week 6) in the hydrocortisone plus 1,5-pentanediol group, which was not observed in the hydrocortisone-only group. There were 2 instances in each treatment group of "slight burning sensation" following cream application. The study authors noted that bacteria are not likely to develop resistance to 1,5-Pentanediol because of the interaction of diols on membranes.

Cosmetic Ingredient Review; Safety Assessment of Alkane Diols as Used in Cosmetics: Tentative Report for Public Comment (April 2017). Available from, as of June 12, 2017: https://www.cir-safety.org/ingredients


The therapeutic effect of 1,5-Pentanediol was investigated for the treatment of herpes simplex labialis (cold sore virus) in a placebo-controlled, randomized, double-blind clinical trial. Patients included in the trial were those with known, frequent recurrences of herpes labialis. The treatment group (n=53) received 25% 1,5-pentanediol in a gel formulation, which was applied to both lips (0.04 g total/day) during the 26-week prophylactic evaluation. The placebo group (n=52) received the same gel formulation without 1,5-Pentanediol for 26 weeks. During the occurrence of herpes labialis episodes the treatment gel or placebo was applied to both lips (0.16 g total/day) for 5 days and then the prophylactic treatment resumed until the next herpes episode. The herpes episodes reported during the trial were 109 for the treatment group and 120 for the placebo group. 1,5-Pentanediol did not demonstrate a prophylactic effect, compared to the placebo, in preventing the recurrence of herpes labialis. However, there was a statistically significant improvement in blistering, swelling, and pain for the therapeutic use of 1,5-pentanediol as compared to the placebo. There were no treatment-related adverse events attributable to 1,5-pentanediol or the placebo reported. In the treatment and placebo groups, body weight and temperature, heart rate, and clinical parameters were nearly unchanged.

Cosmetic Ingredient Review; Safety Assessment of Alkane Diols as Used in Cosmetics: Tentative Report for Public Comment (April 2017). Available from, as of June 12, 2017: https://www.cir-safety.org/ingredients


5 Pharmacology and Biochemistry
5.1 Metabolism/Metabolites

Experiments in rabbits administered single doses of alkane diols via stomach tube revealed metabolites isolated from the urine 1 to 3 days post-dosing. Propanediol glucuronic acid conjugation accounted for up to 2% of the administered dose (4 mmol/kg); 1,4-butanediol (9 g) was metabolized to succinic acid (7% of administered dose); 2,3-butanediol glucuronic acid conjugation accounted for up to 26% of the administered dose (4 mmol/kg); phenacyl glutarate (0.5% of dose) was identified after 1,5-pentanediol (8.5 g) administration; Hexanediol glucuronic acid conjugation accounted for up to 9% of the administered dose (2 mmol/kg) and adipic acid was detected.

Cosmetic Ingredient Review; Safety Assessment of Alkane Diols as Used in Cosmetics: Tentative Report for Public Comment (April 2017). Available from, as of June 12, 2017: https://www.cir-safety.org/ingredients


In human subjects dermally exposed to 25% 1,5-Pentanediol (2 applications, 12 hours apart), increasing levels of glutaric acid were detected in urine and serum (no concentrations were provided). The study authors reported that the risk of 1,5-pentanediol accumulation at the concentration tested (therapeutic dose) was low.

Cosmetic Ingredient Review; Safety Assessment of Alkane Diols as Used in Cosmetics: Tentative Report for Public Comment (April 2017). Available from, as of June 12, 2017: https://www.cir-safety.org/ingredients


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