|
|
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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anti-Infective Agents
- Antifungal Agents
- Skin / Eye Irritant
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)InChIKey
FBUKVWPVBMHYJY-UHFFFAOYSA-NSmiles
C(CCCCC)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.