PUBCHEM VALERIC ACID

PUBCHEM VALERIC ACID

NAMES AND IDENTIFIERS
NAMES AND IDENTIFIERS

CID 7991

Valeric acid
Names and Identifiers
Computed Descriptors

IUPAC Name

pentanoic acid
Computed by Lexichem TK 2.7.0 (PubChem
release 2021.10.14)

PubChem

InChI

InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-
4H2,1H3,(H,6,7)
Computed by InChI 1.0.6 (PubChem release
2021.10.14)

PubChem

InChIKey

NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release
2021.10.14)

PubChem

Canonical SMILES

CCCCC(=O)O
Computed by OEChem 2.3.0 (PubChem
release 2021.10.14)

PubChem

Molecular Formula
C5H10O2
Computed by PubChem 2.2 (PubChem release
2021.10.14)

CAMEO Chemicals; Wikipedia; PubChem

C5H10O2
CH3(CH2)3COOH

ILO-WHO International Chemical Safety …

Other Identifiers

CAS

109-52-4

CAMEO Chemicals; CAS Common Chemi…

Related CAS

19455-21-1 (potassium salt)

42739-38-8 (ammonium salt)
556-38-7 (zinc salt)
6106-41-8 (hydrochloride salt)
70268-41-6 (manganese(+2) salt)

ChemIDplus

Deprecated CAS

12124-87-7, 2243145-76-6, 2486087-46-9

ChemIDplus

12124-87-7

EPA DSSTox

European Community (EC)

Number

203-677-2

European Chemicals Agency (ECHA)

UNII

GZK92PJM7B

FDA Global Substance Registration Syste…

UN Number

3265

CAMEO Chemicals; ILO-WHO Internation…

ChEMBL ID

CHEMBL268736

ChEMBL

DSSTox Substance ID

DTXSID7021655

EPA DSSTox

FEMA Number

3101

Flavor and Extract Manufacturers Associ…

ICSC Number

0346

ILO-WHO International Chemical Safety …

JECFA Number

90

Joint FAO/WHO Expert Committee on Fo…

KEGG ID

C00803

KEGG

Lipid Maps ID (LM_ID)

LMFA01010005

LIPID MAPS

Metabolomics Workbench ID

27

Metabolomics Workbench

Nikkaji Number

J1.504K

Japan Chemical Substance Dictionary (Ni…

NSC Number

406833

DTP/NCI

Wikidata

Q407796

Wikidata

Wikipedia

Valeric acid

Wikipedia

Valeric_acid

Wikipedia

Synonyms

MeSH Entry Terms

1. lithium pentanoate
2. n-pentanoic acid
3. n-pentanoic acid, 11C-labeled
4. n-pentanoic acid, 11C-labeled sodium
salt
5. n-pentanoic acid, ammonium salt
6. n-pentanoic acid, maganese (+2) salt
7. n-pentanoic acid, potassium salt
8. n-pentanoic acid, sodium salt
9. n-pentanoic acid, zinc salt
10. valeric acid

Medical Subject Headings (MeSH)

Depositor-Supplied Synonyms

1. Valeric acid
2. PENTANOIC ACID
3. n-Valeric acid
4. 109-52-4
5. n-Pentanoic acid
6. Valerianic acid
7. 1-Butanecarboxylic acid
8. Propylacetic acid
9. Butanecarboxylic acid
10. pentoic acid
11. Kyselina valerova
12. VALERIC ACID, N-
13. Valeric acid, normal
14. Valeriansaeure
15. n-Pentanoate
16. FEMA No. 3101
17. Kyselina valerova [Czech]
18. NSC 406833
19. HSDB 5390
20. n-Valerate
21. UNII-GZK92PJM7B
22. GZK92PJM7B
23. 1-pentanoic acid
24. EINECS 203-677-2
25. n-BuCOOH
26. BRN 0969454
27. Pentanoic--d4 Acid
28. 64118-37-2
29. DTXSID7021655
30. CHEBI:17418
31. AI3-08657
32. Pentanoic acid-1-13C
33. n-C4H9COOH
34. MFCD00004413
35. NSC-406833
36. CH3-[CH2]3-COOH
37. DTXCID801655
38. EC 203-677-2
39. 4-02-00-00868 (Beilstein Handbook
Reference)
40. PENTANOIC-2,2-D2 ACID
41. PENTANOIC-3,3-D2 ACID
42. NCGC00183281-01
43. C5:0
44. CH3-(CH2)3-COOH
45. VALERIC ACID (MART.)
46. VALERIC ACID [MART.]
47. VALERICACID
48. 83741-76-8
49. CAS-109-52-4
50. SHF
51. 1219804-71-3
52. 83741-74-6
53. VALPROIC ACID IMPURITY A (EP
IMPURITY)
54. VALPROIC ACID IMPURITY A [EP
IMPURITY]
55. Butane-1-carboxylic acid
56. pentoate
57. Valerianate
58. Valeriansaure
59. Butanecarboxylate
60. 1-pentanoate
61. 1ylv
62. Pentanoic Acid; Valproic Acid Imp. A
(EP); Valeric Acid; Valproic Acid Impurity
A
63. 1-Butanecarboxylate
64. Valeric acid normal
65. Valeric acid, 99%
66. Valeric acid, >=99%
67. bmse000345
68. Pentanoic acid Valeric acid
69. SCHEMBL5886
70. VALERIC ACID [FCC]
71. WLN: QV4
72. VALERIC ACID [FHFI]
73. N-VALERIC ACID [MI]
74. MLS001066335
75. PENTANOIC ACID [HSDB]
76. Pentanoic Acid (Valeric Acid)
77. CHEMBL268736
78. GTPL1061
79. Valeric acid ( Pentanoic acid )
80. Valeric acid, analytical standard
81. HMS2267A03
82. HY-N6056
83. Tox21_113414
84. Tox21_201561
85. Tox21_303030
86. FA 5:0
87. LMFA01010005
88. NSC406833
89. Valeric acid, >=99%, FCC, FG
90. AKOS000118960
91. DB02406
92. NCGC00183281-02
93. NCGC00183281-03
94. NCGC00256597-01
95. NCGC00259110-01
96. BS-42203
97. SMR000471834
98. CS-0032261
99. FT-0651620
100. FT-0694066
101. V0003
102. EN300-19254
103. Valeric acid, pharmaceutical impurity
standard
104. C00803
105. Q407796
106. J-002298
107. F2191-0105
108. Z104473312
109. InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-
4H2,1H3,(H,6,7

PubChem