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Substance Name: 5-Methylhexanoic acid
RN: 628-46-6
UNII: N1AK4X34C2
InChIKey: MHPUGCYGQWGLJL-UHFFFAOYSA-N
Classification Codes
- Reproductive Effect
- TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
Molecular Formula
- C7-H14-O2
Molecular Weight
- 130.186
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Names and Synonyms
Name of Substance
- 5-Methylhexanoic acid
Synonyms
- 4-02-00-00970 (Beilstein Handbook Reference)
- 5-Methylcaproic acid
- 5-Methylhexanoic acid
- 5-Methylhexylic acid
- BRN 1744722
- FEMA No. 3572
- Hexanoic acid, 5-methyl-
- Isoamylacetic acid
- Isoenanthic acid
- Isoheptanoic acid
- Isovenanthic acid
- NSC 1075
- UNII-N1AK4X34C2
Systematic Name
- Hexanoic acid, 5-methyl-
Superlist Name
- 5-Methylhexanoic acid
Registry Numbers
CAS Registry Number
- 628-46-6
FDA UNII
- N1AK4X34C2
System Generated Number
- 0000628466
Structure Descriptors
InChI
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)InChIKey
MHPUGCYGQWGLJL-UHFFFAOYSA-NSmiles
CC(C)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -2.50E+01 | deg C | EXP | |
| Boiling Point | 216 | deg C | EXP | |
| log P (octanol-water) | 2.470 | (none) | EST | |
| Atmospheric OH Rate Constant | 6.93E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.