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Chemistry

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Also known as: 105-87-3, Geraniol acetate, Geranyl ethanoate, Bay pine (oyster) oil, Trans-3,7-dimethyl-2,6-octadien-1-yl acetate, Acetic acid, geraniol ester
Molecular Formula
C12H20O2
Molecular Weight
196.29  g/mol
InChI Key
HIGQPQRQIQDZMP-DHZHZOJOSA-N
FDA UNII
3W81YG7P9R

Geranyl Acetate
geranyl acetate is a natural product found in Nepeta nepetella, Xylopia sericea, and other organisms with data available.
1 2D Structure

Geranyl Acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
2.1.2 InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
2.1.3 InChI Key
HIGQPQRQIQDZMP-DHZHZOJOSA-N
2.1.4 Canonical SMILES
CC(=CCCC(=CCOC(=O)C)C)C
2.1.5 Isomeric SMILES
CC(=CCC/C(=C/COC(=O)C)/C)C
2.2 Other Identifiers
2.2.1 UNII
3W81YG7P9R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Geraniol Acetate

2. Geraniol Acetate, (e)-isomer

3. Geraniol Acetate, (z)-isomer

4. Nerol Acetate

5. Neryl Acetate

2.3.2 Depositor-Supplied Synonyms

1. 105-87-3

2. Geraniol Acetate

3. Geranyl Ethanoate

4. Bay Pine (oyster) Oil

5. Trans-3,7-dimethyl-2,6-octadien-1-yl Acetate

6. Acetic Acid, Geraniol Ester

7. Geranyl Acetate A

8. Acetic Acid, Geranyl Ester

9. [(2e)-3,7-dimethylocta-2,6-dienyl] Acetate

10. Beta-geranyl Acetate

11. Trans-geraniol Acetate

12. Meraneine

13. 16409-44-2

14. 3,7-dimethylocta-2,6-dien-1-yl Acetate

15. Nci-c54728

16. 3,7-dimethyl-2,6-octadienyl Acetate

17. Fema No. 2509

18. Trans-2,6-dimethyl-2,6-octadien-8-yl Ethanoate

19. Trans-geranyl Acetate

20. Chebi:5331

21. 2,6-octadien-1-ol, 3,7-dimethyl-, Acetate, (e)-

22. 3,7-dimethyl-2-trans, 6-octadienyl Acetate

23. Nsc 2584

24. 2,6-dimethyl-2,6-octadiene-8-yl Acetate

25. 3w81yg7p9r

26. Trans-3,7-dimethyl-2,6-octadienyl Acetate

27. 2,6-octadien-1-ol, 3,7-dimethyl-, Acetate

28. (e)-3,7-dimethylocta-2,6-dien-1-yl Acetate

29. (2e)-3,7-dimethylocta-2,6-dien-1-yl Acetate

30. Trans-3,7-dimethyl-2,6-octadien-1-ol, Acetate

31. 3,7-dimethyloctyl Acetate, Tetradehydro Derivative

32. Nsc-2584

33. 2,6-octadien-1-ol, 3,7-dimethyl-, Acetate, Trans-

34. 1-octanol, 3,7-dimethyl-, Acetate, Tetradehydro Deriv.

35. 3,7-dimethyl-2e,6-octadienyl Acetate

36. Geranyl Acetate, Cis-

37. 1-octanol, 3,7-dimethyl-, 1-acetate, Tetradehydro Deriv.

38. 3,7-dimethyl-2,6-octadien-1-ylacetate

39. 3,7-dimethyl-2,6-octadien-1-ol Acetate

40. Dsstox_cid_654

41. Geranyl Acetate 100 Microg/ml In Acetonitrile

42. (e)-3,7-dimethyl-2,6-octadien-1-yl Acetate

43. Dsstox_rid_75714

44. 2,6-octadien-1-ol, 3,7-dimethyl-, 1-acetate

45. Dsstox_gsid_20654

46. Trans-3,7-dimethyl-2,6-octadien-1-yl Ethanoate

47. 8022-83-1

48. 2,6-octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2e)-

49. Geranylacetat

50. Nerylacetate

51. Cas-105-87-3

52. Trans-3,7- Dimethyl-2,6-octadien-1-ol Acetate

53. Fema Number 2509

54. Geranyl Acetate (natural)

55. Unii-3w81yg7p9r

56. Ccris 877

57. Hsdb 586

58. 68311-13-7

59. Acetic Acid Geranyl

60. Einecs 203-341-5

61. Einecs 269-749-0

62. Mfcd00015037

63. Geranyl Acetate 60

64. Geranyl Acetate, Fcc

65. Brn 1722815

66. Geranyl Acetate 98

67. (2e)-geranyl Acetate

68. Geranyl Acetate, Extra

69. Nerol Acetate (6ci)

70. Starbld0004670

71. Ai3-00207

72. 3, 6-octadienyl Acetate

73. Acetic Acid Geraniol Ester

74. Monoterpene Acetate Mixture

75. Ec 203-341-5

76. Geranyl Acetate, >=97%

77. Geranyl Acetate Extra

78. Schembl56913

79. Schembl56914

80. 4-02-00-00204 (beilstein Handbook Reference)

81. Mls002152904

82. Geranyl Acetate [fcc]

83. 2,6-octadien-1-ol, 3,7-dimethyl-, Acetate,(e)-

84. 3,7-dimethyl-2,6-octadien-1-yl Ethanoate, Trans-

85. Geranyl Acetate [fhfi]

86. Geranyl Acetate [hsdb]

87. Geranyl Acetate [inci]

88. Geranyl Acetate, Natural, Fcc

89. Chembl1369384

90. Dtxsid0020654

91. Chebi:88568

92. Fema 2509

93. Nsc2584

94. Hms2268g10

95. Hy-n7070

96. Trans-3,6-octadien-1-ol, Acetate

97. Zinc1531610

98. Geranyl Acetate, Analytical Standard

99. Tox21_202089

100. Tox21_300355

101. Wln: 1y & U3yu2ov1-t

102. Bdbm50037025

103. Lmfa07010189

104. S5091

105. 2, 3,7-dimethyl-, Acetate,(e)-

106. 2, 3,7-dimethyl-, Acetate, Trans-

107. 3,7-dimethyl-2,6-octadienyl=acetate

108. Akos015837938

109. 2, 3,7-dimethyl-, Acetate, (e)-

110. Ccg-266559

111. Cs-w015698

112. Ncgc00091394-01

113. Ncgc00091394-02

114. Ncgc00091394-03

115. Ncgc00091394-04

116. Ncgc00254482-01

117. Ncgc00259638-01

118. 33843-18-4

119. Ls-14126

120. Smr000127400

121. 3,7-dimethyl-2,6-octadien-1-yl Acetate

122. (z)-3,7-dimethyl-2,6-octadienyl Acetate

123. (2e)-3,7-dimethyl-2,6-octadienyl Acetate

124. 3,7-dimethyl-2,6-octadien-1-ylacetic Acid

125. G0028

126. 3,7-dimethyl-acetate(e)-2,6-octadien-1-ol

127. (2e)-3,7-dimethyl-2,6-octadienyl Acetate #

128. 3,7-dimethyl-acetate(2e)-2,6-octadien-1-ol

129. 3,7-dimethyl-acetate(2z)-2,6-octadien-1-ol

130. 3,7-dimethyl-acetatetrans-2,6-octadien-1-ol

131. C09861

132. Cis-3,7-dimethyl-2,6-octadien-1-yl Ethanoate

133. D70281

134. Trans-3,7-dimethyl-2,6-octadien-1-ol Acetate

135. 3,7-dimethyl-1-acetate(2e)-2,6-octadien-1-ol

136. 3,7-dimethyl-1-acetate(2z)-2,6-octadien-1-ol

137. Q426437

138. J-007463

139. W-108778

140. 2,6-octadien-1-ol,3,7-dimethyl-,1-acetate,(2e)-

141. 2,6-octadien-1-ol,3,7-dimethyl-, 1-acetate, (2e)-

142. Acetic Acid Trans-3,7-dimethyl-oct-2,6-dien-1-yl Ester

143. Geranyl Acetate, Primary Pharmaceutical Reference Standard

144. Geranyl Acetate, Food Grade (71% Geranyl Acetate, 29% Citronellyl Acetate)

145. 3,7-dimethyl-2,6-octadienyl Acetate, Mixture Of Isomers, >97.0% (sum Of Isomers, Gc)

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 196.29 g/mol
Molecular Formula C12H20O2
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass196.146329876 g/mol
Monoisotopic Mass196.146329876 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Minimum/Potential Fatal Human Dose

3(?). 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB). /GERANIOL/

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-168


5 Pharmacology and Biochemistry
5.1 Metabolism/Metabolites

ASSUMING THAT THESE TERPENE ESTERS ARE HYDROLYZED TO THE ALCOHOLS, THEY PROBABLY ARE THEN OXIDIZED IN PART TO AN ACID KNOWN AS HILDEBRANDT ACID... IN CASE OF GERANIOL, SOME REDUCED HILDEBRANDT ACID (@ 2-3 DOUBLE BOND) IS ALSO FORMED.

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1864


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Geranyl Acetate manufacturers, exporters & distributors 1

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

API | Excipient name

Geranyl Acetate

Synonyms

105-87-3, Geraniol acetate, Geranyl ethanoate, Bay pine (oyster) oil, Trans-3,7-dimethyl-2,6-octadien-1-yl acetate, Acetic acid, geraniol ester

Cas Number

105-87-3

Unique Ingredient Identifier (UNII)

3W81YG7P9R

About Geranyl Acetate

geranyl acetate is a natural product found in Nepeta nepetella, Xylopia sericea, and other organisms with data available.

Geranyl Acetate Manufacturers

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

Geranyl Acetate Suppliers

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

Geranyl Acetate GMP

Geranyl Acetate 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 Geranyl Acetate 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 Geranyl Acetate GMP manufacturer or Geranyl Acetate GMP API supplier for your needs.

Geranyl Acetate CoA

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

Geranyl Acetate CoA mostly includes findings from lab analyses of a specific batch. For each Geranyl Acetate 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.

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