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Substance Name: Nonanoic acid
RN: 112-05-0
UNII: 97SEH7577T
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
Note
- K salt acts as cariostatic agent.
Molecular Formula
- C9-H18-O2
Molecular Weight
- 158.2392
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anti-Infective Agents
- Antifungal Agents
- Skin / Eye Irritant
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Names and Synonyms
Results Name
- Nonanoic acid
Name of Substance
- Nonanoic acid
- Pelargonic acid
Synonyms
- 1-Octanecarboxyic acid
- 1-Octanecarboxylic acid
- 4-02-00-01018 (Beilstein Handbook Reference)
- AI3-04164
- BRN 1752351
- Cirrasol 185A
- EC 203-931-2
- EINECS 203-931-2
- Emfac 1202
- EPA Pesticide Chemical Code 217500
- FEMA No. 2784
- Hexacid C-9
- HSDB 5554
- n-Nonanoic acid
- n-Nonoic acid
- n-Nonylic acid
- Nonanoic acid
- Nonoic acid
- Nonylic acid
- NSC 62787
- Pelargic acid
- Pelargon
- Pelargon [Russian]
- Pelargonic acid
- UNII-97SEH7577T
Systematic Name
- Nonanoic acid
Superlist Names
- Nonanoic acid
- Pelargonic acid
Registry Numbers
CAS Registry Number
- 112-05-0
FDA UNII
- 97SEH7577T
Related Registry Numbers
- 14047-60-0 (hydrochloride salt)
- 23282-34-0 (potassium salt)
- 29813-38-5 (calcium salt)
- 5112-16-3 (cadmium salt)
- 7640-78-0 (zinc salt)
System Generated Number
- 0000112050
Structure Descriptors
InChI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)InChIKey
FBUKVWPVBMHYJY-UHFFFAOYSA-NSmiles
CCCCCCCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 224mg/kg (224mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 12.3 | deg C | EXP | |
| Boiling Point | 254.5 | deg C | EXP | |
| pKa Dissociation Constant | 4.95 | (none) | 25 | EXP |
| log P (octanol-water) | 3.42 | (none) | EXP | |
| Water Solubility | 284 | mg/L | 20 | EXP |
| Vapor Pressure | 0.00165 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.62E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 9.76E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.