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| CAS No.: | 112-05-0 |
|---|---|
| Name: | Nonanoic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C9H18O2 |
| Molecular Weight: | 158.241 |
| Synonyms: | 1-Octanecarboxylicacid;Emery 1203;Grantrico;NSC 62787;NSC 65450;NSC 65455;Nonoic acid;Nonylic acid;Pelargic acid;Pelargonic acid;Pergonic acid;n-Nonanoic acid;n-Nonoic acid;n-Nonylic acid;n-Pelargonic acid; |
| EINECS: | 203-931-2 |
| Density: | 0.924 g/cm3 |
| Melting Point: | 9 °C(lit.) |
| Boiling Point: | 254.9 °C at 760 mmHg |
| Flash Point: | 114.9 °C |
| Solubility: | NEGLIGIBLE |
| Appearance: | clear, oily liquid with an unpleasant, rancid odor |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-28-36/37/39-45-28A |
| Transport Information: | UN 3265 8/PG 3 |
| PSA: | 37.30000 |
| LogP: | 2.82160 |
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Chemistry
Molecule structure of Nonanoic acid (CAS NO.112-05-0):
IUPAC Name: Nonanoic acid
Molecular Weight: 158.23802 g/mol
Molecular Formula: C9H18O2
Density: 0.921 g/cm3
Melting Point: 9 °C(lit.)
Boiling Point: 254.9 °C at 760 mmHg
Flash Point: 114.9 °C
Index of Refraction: 1.44
Molar Refractivity: 45.3 cm3
Molar Volume: 171.7 cm3
Surface Tension: 33.1 dyne/cm
Enthalpy of Vaporization: 52.03 kJ/mol
Vapour Pressure: 0.00867 mmHg at 25 °C
Storage Temp.: 2-8 °C
Water Solubility: negligible
XLogP3: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 158.13068
MonoIsotopic Mass: 158.13068
Topological Polar Surface Area: 37.3
Heavy Atom Count: 11
Canonical SMILES: CCCCCCCCC(=O)O
InChI: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
EINECS: 203-931-2
Product Categories: Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes
Uses
Nonanoic acid (CAS NO.112-05-0) is used as intermediates of liquid crystals. It is also used in the preparation of plasticizers and lacquers and as a herbicide. The derivative 4-nonanoylmorpholine is an ingredient in some pepper sprays.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),839. | ||
| 2. | eye-rbt 91 mg SEV | EMERY* Emery Industries, Inc., Data Sheets .(Cincinnati, OH.: )1964,S3B. | ||
| 3. | skn-gpg 100% SEV | FCTXAV Food and Cosmetics Toxicology. 16 (1978),839. | ||
| 4. | orl-rat LDLo:3200 mg/kg | 14CYAT Industrial Hygiene and Toxicology. 2 (1963),1788. | ||
| 5. | orl-mus LD50:15 g/kg | GISAAA Gigiena i Sanitariya. 42 (3)(1977),99. | ||
| 6. | ivn-mus LD50:224 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 18 (1961),141. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-28-36/37/39-45-28A
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 3265 8/PG 3
WGK Germany: 1
RTECS: RA6650000
HazardClass: 8
PackingGroup: III
HS Code: 29159080
Poison by intravenous route. Moderately toxic by ingestion. A severe skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Nonanoic acid (CAS NO.112-05-0) is also named as 1-Octanecarboxyic acid ; 1-Octanecarboxylic acid ; 4-02-00-01018 (Beilstein Handbook Reference) ; AI3-04164 ; BRN 1752351 ; Cirrasol 185A ; Cirrasol 185a ; EPA Pesticide Chemical Code 217500 ; Emfac 1202 ; FEMA No. 2784 ; HSDB 5554 ; Hexacid C-9 ; NSC 62787 ; Nonylic acid ; Pelargic acid ; Pelargon ; Pelargon [Russian] ; Pelargonic acid ; UNII-97SEH7577T ; n-Nonanoic acid ; n-Nonoic acid ; n-Nonylic acid . Nonanoic acid (CAS NO.112-05-0) is a clear, oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but very soluble in chloroform, ether, and hexane. Nonanoic acid is a fatty acid which occurs naturally as esters in the oil of pelargonium.