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Chemistry

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Also known as: 115-77-5, 2,2-bis(hydroxymethyl)propane-1,3-diol, Tetramethylolmethane, Penetek, Pentek, Metab-auxil
Molecular Formula
C5H12O4
Molecular Weight
136.15  g/mol
InChI Key
WXZMFSXDPGVJKK-UHFFFAOYSA-N
FDA UNII
SU420W1S6N

Pentaerythritol
1 2D Structure

Pentaerythritol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2-bis(hydroxymethyl)propane-1,3-diol
2.1.2 InChI
InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
2.1.3 InChI Key
WXZMFSXDPGVJKK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(CO)(CO)CO)O
2.2 Other Identifiers
2.2.1 UNII
SU420W1S6N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Auxitrans

2. Hydrafuca

3. Pentaerythritol, Calcium, Zinc Salt

4. Pentaerythritol, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 115-77-5

2. 2,2-bis(hydroxymethyl)propane-1,3-diol

3. Tetramethylolmethane

4. Penetek

5. Pentek

6. Metab-auxil

7. Monopentaerythritol

8. Pentaerythrite

9. Auxinutril

10. Maxinutril

11. Monopentek

12. Hercules P6

13. Tetrahydroxymethylmethane

14. Methane Tetramethylol

15. Tetrakis(hydroxymethyl)methane

16. 2,2-bis(hydroxymethyl)-1,3-propanediol

17. 1,3-propanediol, 2,2-bis(hydroxymethyl)-

18. Pentaerithrityl

19. Tetra(hydroxymethyl)methane

20. Thme

21. Pe 200

22. Auxitrans

23. 1,1,1-tris(hydroxymethyl)ethanol

24. Nsc 8100

25. Su420w1s6n

26. Nsc-8100

27. Dsstox_cid_6943

28. Dsstox_rid_78264

29. Dsstox_gsid_26943

30. 334974-06-0

31. 1,3-propanediol, 2,2-bis(hydroxymethyl)-, Homopolymer

32. Pentaerythrital

33. 54640-10-7

34. Cas-115-77-5

35. Charmor Pm 15

36. Ccris 2306

37. Hsdb 872

38. Einecs 204-104-9

39. Mfcd00004692

40. Brn 1679274

41. Unii-su420w1s6n

42. Auxenutril

43. Pentaertyhritol

44. Hydrafuca

45. Ai3-19571

46. Hercules Mono-pe

47. Auxitrans (tn)

48. Mono Pentaerythritol

49. 3sy

50. Pentaerythritol, Cp

51. Tetramethylol Methane

52. Pentaerythritol, 98%

53. Pentaerythritol, 99%

54. Monopentaerythrito

55. Pentaerythritol-[13c]

56. Ec 204-104-9

57. Pentaerythritol, Sodium Salt

58. Pentaerythritol [mi]

59. Schembl15049

60. Wln: Q1x1q1q1q

61. 4-01-00-02812 (beilstein Handbook Reference)

62. C(ch2oh)4

63. Pentaerythritol [hsdb]

64. Pentaerythritol [inci]

65. 1, 2,2-bis(hydroxymethyl)-

66. Pentaerythritol [mart.]

67. Chembl3186112

68. Dtxsid2026943

69. Pentaerythritol [who-dd]

70. 1,2-diacylglycerol-ld-pe-pool

71. Nsc8100

72. Chebi:134760

73. Damiana Powder & Powder Extract

74. Zinc391843

75. Methane, Tetrakis(hydroxymethyl)-,

76. Amy40485

77. Pentaerythritol, Calcium, Zinc Salt

78. Tox21_201921

79. Tox21_303573

80. Stl483077

81. Akos009166690

82. Db13526

83. 2,2-bis-hydroxymethyl-propane-1,3-diol

84. Ncgc00249136-01

85. Ncgc00257496-01

86. Ncgc00259470-01

87. Bp-13392

88. 2,2-bis(hydroxymethyl)-propane-1,3-diol

89. Ft-0652275

90. Ft-0673583

91. P0039

92. Black Cohosh Root Powder & Powder Extract

93. D08331

94. A803483

95. Q421828

96. Q-201541

97. Q-201892

98. F0001-0283

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 136.15 g/mol
Molecular Formula C5H12O4
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass136.07355886 g/mol
Monoisotopic Mass136.07355886 g/mol
Topological Polar Surface Area80.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity51.8
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 ATC Code

A - Alimentary tract and metabolism

A06 - Drugs for constipation

A06A - Drugs for constipation

A06AD - Osmotically acting laxatives

A06AD14 - Pentaerithrityl


4.2 Absorption, Distribution and Excretion

10 mg/kg (14)C-pentaerythrite, administered orally to 12 mice (females), was absorbed and excreted rapidly. Half of the administered dose left the gastrointestinal tract within 15 min and 68% of the dose appeared in the urine and feces after 4 hr. The compound detected was pentaerythrite.

European Commission, ESIS; IUCLID Dataset, Pentaerythritol (115-77-5) p.44 (2000 CD-ROM edition). Available from, as of February 18, 2010: https://esis.jrc.ec.europa.eu/


In ... experiments with (14)carbon pentaerythritol, 69% of (14)carbon was excreted, probably as unchanged compound, in 24 hr urine and 23% in feces /after oral administration to dogs/. Blood levels were greatest after 1 hr.

The Chemical Society. Foreign Compound Metabolism in Mammals. Volume 1: A Review of the Literature Published Between 1960 and 1969. London: The Chemical Society, 1970., p. 42


Kinetics of urinary excretion of pentaerythritol were first order and apparently dose-independent ...

The Chemical Society. Foreign Compound Metabolism in Mammals. Volume 2: A Review of the Literature Published Between 1970 and 1971. London: The Chemical Society, 1972., p. 446


Feeding studies in human volunteers revealed that about 85% of pentaerythritol fed was eliminated unchanged in urine. Elimination was essentially complete in 30 hr.

American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2007.


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05-Jan-2022
31-May-2025
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Looking for 115-77-5 / Pentaerythritol API manufacturers, exporters & distributors?

Pentaerythritol manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Pentaerythritol API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Pentaerythritol manufacturer or Pentaerythritol supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Pentaerythritol manufacturer or Pentaerythritol supplier.

PharmaCompass also assists you with knowing the Pentaerythritol API Price utilized in the formulation of products. Pentaerythritol API Price is not always fixed or binding as the Pentaerythritol Price is obtained through a variety of data sources. The Pentaerythritol Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Pentaerythritol

Synonyms

115-77-5, 2,2-bis(hydroxymethyl)propane-1,3-diol, Tetramethylolmethane, Penetek, Pentek, Metab-auxil

Cas Number

115-77-5

Unique Ingredient Identifier (UNII)

SU420W1S6N

Pentaerythritol Manufacturers

A Pentaerythritol manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Pentaerythritol, including repackagers and relabelers. The FDA regulates Pentaerythritol manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Pentaerythritol API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Pentaerythritol manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Pentaerythritol Suppliers

A Pentaerythritol supplier is an individual or a company that provides Pentaerythritol active pharmaceutical ingredient (API) or Pentaerythritol finished formulations upon request. The Pentaerythritol suppliers may include Pentaerythritol API manufacturers, exporters, distributors and traders.

click here to find a list of Pentaerythritol suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Pentaerythritol USDMF

A Pentaerythritol DMF (Drug Master File) is a document detailing the whole manufacturing process of Pentaerythritol active pharmaceutical ingredient (API) in detail. Different forms of Pentaerythritol DMFs exist exist since differing nations have different regulations, such as Pentaerythritol USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Pentaerythritol DMF submitted to regulatory agencies in the US is known as a USDMF. Pentaerythritol USDMF includes data on Pentaerythritol's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Pentaerythritol USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Pentaerythritol suppliers with USDMF on PharmaCompass.

Pentaerythritol GMP

Pentaerythritol Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Pentaerythritol GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Pentaerythritol GMP manufacturer or Pentaerythritol GMP API supplier for your needs.

Pentaerythritol CoA

A Pentaerythritol CoA (Certificate of Analysis) is a formal document that attests to Pentaerythritol's compliance with Pentaerythritol specifications and serves as a tool for batch-level quality control.

Pentaerythritol CoA mostly includes findings from lab analyses of a specific batch. For each Pentaerythritol CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Pentaerythritol may be tested according to a variety of international standards, such as European Pharmacopoeia (Pentaerythritol EP), Pentaerythritol JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Pentaerythritol USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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