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Isopropyl Palmitate

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Soujanya Isopropyl Palmitate

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 142-91-6, Isopropyl hexadecanoate, Hexadecanoic acid, 1-methylethyl ester, Isopalm, Deltyl prime, Wickenol 111

Molecular Formula

C₁₉H₃₈O₂

Molecular Weight

298.5 g/mol

InChI Key

XUGNVMKQXJXZCD-UHFFFAOYSA-N

FDA UNII

8CRQ2TH63M

isopropyl palmitate is a natural product found in Bellis perennis and Glehnia littoralis with data available.

1 2D Structure

Isopropyl Palmitate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-yl hexadecanoate

2.1.2 InChI

InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

2.1.3 InChI Key

XUGNVMKQXJXZCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C

2.2 Other Identifiers

2.2.1 UNII

8CRQ2TH63M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 142-91-6

2. Isopropyl Hexadecanoate

3. Hexadecanoic Acid, 1-methylethyl Ester

4. Isopalm

5. Deltyl Prime

6. Wickenol 111

7. Deltyl

8. Emerest 2316

9. Isopal

10. Propal

11. Tegester Isopalm

12. Ja-fa Ippkessco

13. Sinnoester Pit

14. Crodamol Ipp

15. Plymouth Ipp

16. Starfol Ipp

17. Unimate Ipp

18. Kessco Ipp

19. Emcol-ip

20. Isopropyl N-hexadecanoate

21. Stepan D-70

22. Palmitic Acid, Isopropyl Ester

23. Nikkol Ipp

24. Estol 103

25. Usaf Ke-5

26. 1-methylethyl Hexadecanoate

27. Ja-fa Ipp

28. Kessco Isopropyl Palmitate

29. Propan-2-yl Hexadecanoate

30. Hexadecanoic Acid, Isopropyl Ester

31. Hariol Ipp

32. Tegosoft P

33. Liponate Ipp

34. Lexol Ipp

35. Nsc 69169

36. Palmitic Acid Isopropyl Ester

37. 2-propyl Hexadecanoate

38. Estol 1517

39. Isopropyl Palmitate (nf)

40. Isopropyl Palmitate [nf]

41. Nsc-69169

42. 8crq2th63m

43. Chebi:84262

44. Isopropyl Ester Of Hexadecanoic Acid

45. Ncgc00164128-01

46. We(2:0(1me)/16:0)

47. Dsstox_cid_7104

48. Dsstox_rid_78312

49. Dsstox_gsid_27104

50. Cas-142-91-6

51. Hsdb 2647

52. Einecs 205-571-1

53. Mfcd00008993

54. Unii-8crq2th63m

55. Brn 1786567

56. Ai3-05733

57. Iso-propylpalmitate

58. Isopropyl-palmitate

59. Palmitic Acid Esters

60. Palmitic Acid Isopropyl

61. Radia 7200

62. Ec 205-571-1

63. 1-methylethyl Hexandecanoate

64. Schembl7743

65. Palmitic Acid-isopropyl Ester

66. 4-02-00-01167 (beilstein Handbook Reference)

67. Isopropyl Palmitate, >=90%

68. Chembl139055

69. Ipp 90

70. Dtxsid9027104

71. Isopropyl Palmitate [ii]

72. Hexadecanoic Acid Isopropyl Ester

73. Isopropyl Palmitate [hsdb]

74. Isopropyl Palmitate [inci]

75. Wln: 15voy1 & 1

76. Isopropyl Palmitate [vandf]

77. Isopropyl Palmitate [mart.]

78. Nsc69169

79. Zinc8214589

80. Tox21_112085

81. Tox21_202558

82. Isopropyl Palmitate [usp-rs]

83. Isopropyl Palmitate [who-dd]

84. Lmfa07010675

85. Akos015902011

86. Tox21_112085_1

87. Isopropyl Palmitate [ep Impurity]

88. Ncgc00164128-02

89. Ncgc00260107-01

90. Bs-15396

91. Hexadecanoic Acidisopropyl N-hexadecanoate

92. Isopropyl Palmitate [ep Monograph]

93. Isopropyl Palmitate, Technical Grade, 90%

94. Db-042654

95. Ft-0631830

96. P0005

97. 1-methylethyl Ester1-methylethyl Hexandecanoate

98. D04632

99. A885074

100. Sr-01000944752

101. J-007718

102. Q2631777

103. Sr-01000944752-1

104. Isopropyl Hexadecanoate, European Pharmacopoeia (ep) Reference Standard

105. Isopropyl Palmitate, United States Pharmacopeia (usp) Reference Standard

106. Isopropyl Palmitate, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₈O₂
Molecular Weight	298.5 g/mol
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	298.287180451 g/mol
Monoisotopic Mass	298.287180451 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	224
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

4 Drug and Medication Information

4.1 Therapeutic Uses

Several pharmacopoeias recommend the membrane filtration method for the sterility test of ophthalmic ointments. Isopropyl myristate, a fatty acid ester that exhibits high toxicity mainly against Gram-negative microorganisms, is indicated as a solvent for ointments.

PMID:16831530 Cardoso VM et al; J Pharm Biomed Anal 42 (5): 630-4 (2006)

... Due to their distinct advantages such as enhanced drug solubility, thermodynamic stability, facile preparation, and low cost, uses and applications of microemulsions have been numerous. Recently, there is a surge in the exploration of microemulsion for transdermal drug delivery for their ability to incorporate both hydrophilic (5-fluorouracil, apomorphine hydrochloride, diphenhydramine hydrochloride, tetracaine hydrochloride, and methotrexate) and lipophilic drugs (estradiol, finasteride, ketoprofen, meloxicam, felodipine, and triptolide) and enhance their permeation.... Besides surfactants, oils can also act as penetration enhancers (oleic acid, linoleic acid, isopropyl myristate, isopropyl palmitate, etc.). ...

PMID:19016057 Azeem A et al; Drug Dev Ind Pharm 35 (5): 525-47 (2009)

4.2 Drug Warning

Cosmetics continue to be used by acne-prone individuals. ... The data presented were gleaned from the rabbit ear assay, which is not an ideal animal model but is the best we have. If an ingredient is negative in the rabbit ear assay, we feel it is safe on the acne-prone skin. A strong, positive ingredient or cosmetic should be avoided. Ingredient offenders include isopropyl myristate and its analogs, such as isopropyl palmitate, isopropyl isostearate, butyl stearate, isostearyl neopentanoate, myristyl myristate, decyl oleate, octyl stearate, octyl palmitate or isocetyl stearate, and new introductions by the cosmetic industry, such as propylene glycol-2 (PPG-2) myristyl propionate...

PMID:6229554 Fulton JE Jr et al; J Am Acad Dermatol 10 (1): 96-105 (1984)

5 Pharmacology and Biochemistry

5.1 Absorption, Distribution and Excretion

Palmitic acid is a component of most animal fats, comprising up to 50% of them. The acid is normally metabolized by beta-oxidation or stored in fat deposits, as are most of the alcohol moieties after they are oxidized to fatty acids. The terminal groups of the iso-alcohols may yield acetone for excretion or for further metabolism. /Palmitic acid/

Christian M, ed; J American College of Toxicology 1 (2): 13-35 (1982)

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