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| CAS No.: | 25354-97-6 |
|---|---|
| Name: | 2-HEXYLDECANOIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C16H32 O2 |
| Molecular Weight: | 256.429 |
| Synonyms: | 2-Hexyldecanoicacid; C16 Guerbet fatty acid; Isocarb 16 |
| EINECS: | 246-885-9 |
| Density: | 0,88 g/cm3 |
| Melting Point: | 10°C |
| Boiling Point: | 165 - 168 C at 2 mm Hg |
| Flash Point: | 174 C |
| Solubility: | insoluble |
| Appearance: | colourless to yellow liquid |
| Hazard Symbols: | 3 |
| Risk Codes: | 36/37/38 |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 37.30000 |
| LogP: | 5.40820 |
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- 87549-17-5
2-hexyl-2-octylmalonic acid
- 25354-97-6
2-hexyldecanoic acid
| Conditions | Yield |
|---|---|
| at 160℃; Inert atmosphere; | 96.31% |
| With glass powder at 145℃; for 3.5h; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: methanol; 1-Chlorohexane; methyl octanate With sodium hydroxide at 20 - 60℃; for 6h; Large scale; Stage #2: With water; sodium hydroxide at 60℃; for 6h; Large scale; | 91.3% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-decanoic acid With sodium hydride; lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃; for 0.5h; Stage #2: 1-Iodohexane at 45℃; for 6h; | 65% |
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide at 150 - 155℃; |
- 25354-97-6
2-hexyldecanoic acid
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; |
- 25354-97-6
2-hexyldecanoic acid
| Conditions | Yield |
|---|---|
| Erhitzen ueber den Schmelzpunkt; |
- 5398-10-7
diethyl 2-hexylmalonate
- 25354-97-6
2-hexyldecanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 80.6 percent / Na / ethanol 2: 88.4 percent / KOH / H2O / 5 h / 90 °C 3: 95 percent / glass powder / 3.5 h / 145 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 82 percent / Na / ethanol / 2.5 h / Heating 2: 80.6 percent / Na / ethanol 3: 88.4 percent / KOH / H2O / 5 h / 90 °C 4: 95 percent / glass powder / 3.5 h / 145 °C View Scheme |
- 87549-16-4
diethyl 2-hexyl-2-octylmalonate
- 25354-97-6
2-hexyldecanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 88.4 percent / KOH / H2O / 5 h / 90 °C 2: 95 percent / glass powder / 3.5 h / 145 °C View Scheme |
| Conditions | Yield |
|---|---|
| With potassium permanganate In dichloromethane |
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Chemistry
Empirical Formula: C16H32O2
Molecular Weight: 256.4241 g/mol
EINECS: 246-885-9
Index of Refraction: 1.452
Density: 0.891 g/cm3
Flash Point: 207.1 °C
Enthalpy of Vaporization: 67.86 kJ/mol
Boiling Point: 371 °C at 760 mmHg
Vapour Pressure: 1.6E-06 mmHg at 25 °C
Melting point: 10 °C
Appearance: Colourless to yellow liquid
The structure of 2-Hexyldecanoic acid (CAS NO.25354-97-6):
IUPAC Name: 2-Hexyldecanoic acid
Canonical SMILES: CCCCCCCCC(CCCCCC)C(=O)O
InChI: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey: JMOLZNNXZPAGBH-UHFFFAOYSA-N
Product Categories of 2-Hexyldecanoic acid (CAS NO.25354-97-6): Carbonyl Compounds;Carboxylic Acids
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 1gm/kg (1000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953. | |
| rat | LDLo | intraperitoneal | 300mg/kg (300mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. When heated to decomposition 2-Hexyldecanoic acid (CAS NO.25354-97-6) emits acrid smoke and fumes.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
2-Hexyldecanoic acid ,its cas register number is 25354-97-6. It also can be called Decanoic acid, 2-hexyl- ; and 2-Hexyldecansaeure .