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| CAS No.: | 31080-39-4 |
|---|---|
| Name: | 2-PROPYLHEPTANOIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C10H20 O2 |
| Molecular Weight: | 172.268 |
| Synonyms: | 2-Propylheptanoicacid; Isocarb 10 |
| Density: | 0.913g/cm3 |
| Boiling Point: | 271.6°Cat760mmHg |
| Flash Point: | 142.3°C |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 37.30000 |
| LogP: | 3.06760 |
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- 852475-26-4MC1568
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2-(n-propyl)-heptanal
- 31080-39-4
2-propyl heptanoic acid
| Conditions | Yield |
|---|---|
| With oxygen at 25℃; under 2250.23 Torr; Product distribution / selectivity; | |
| With oenanthic acid; sodium hydroxide In water at 40 - 130℃; for 19h; Inert atmosphere; | 520 g |
| Conditions | Yield |
|---|---|
| With oxygen at 70℃; under 2250.23 Torr; Product distribution / selectivity; |
- 110-62-3
pentanal
- 31080-39-4
2-propyl heptanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide / water / 130 °C / 2250.23 Torr 2: hydrogen / 0.5% Pd on alumina / 160 °C / 18751.9 Torr 3: oxygen / 25 °C / 2250.23 Torr View Scheme | |
| Multi-step reaction with 3 steps 1: sodium hydroxide / water / 5.5 h / 80 - 95 °C / Industrial scale 2: hydrogen; 5%-palladium/activated carbon / 1.5 h / 75 °C / 11251.1 Torr / Autoclave 3: oenanthic acid; sodium hydroxide / water / 19 h / 40 - 130 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide / water / 130 °C / 2250.23 Torr 2: hydrogen / 0.5% Pd on alumina / 160 °C / 18751.9 Torr 3: oxygen / 70 °C / 2250.23 Torr View Scheme |
- 124-11-8
non-1-ene
- 201230-82-2
carbon monoxide
A
- 117214-89-8, 121820-33-5, 24323-21-5
2-methylnonanoic acid
B
- 31080-39-4
2-propyl heptanoic acid
C
- 25234-25-7
nonane-3-carboxylic acid
D
- 3115-28-4
2-butylhexanoic acid
| Conditions | Yield |
|---|---|
| (i) BF3*H2SO4, (ii) H2O; Multistep reaction; | |
| With sulfuric acid at -5℃; under 76000 Torr; |
- 34880-43-8
2-propylheptenal
- 31080-39-4
2-propyl heptanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen / 0.5% Pd on alumina / 160 °C / 18751.9 Torr 2: oxygen / 25 °C / 2250.23 Torr View Scheme |
| Conditions | Yield |
|---|---|
| With aluminum hydroxide; potashlime; copper; calcium carbonate at 250 - 270℃; unter Druck; |
| Conditions | Yield |
|---|---|
| With tin(ll) chloride at 215℃; for 1.5h; | 82% |
| With potassium hydrogencarbonate at 250℃; for 0.6h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-propyl heptanoic acid With potassium hydroxide In water at 90℃; under 15.0015 Torr; Inert atmosphere; Stage #2: oxirane at 140℃; under 1125.11 - 5400.54 Torr; for 13h; Inert atmosphere; |
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Chemistry
Molecular structure of 2-Propylheptanic acid (CAS NO.31080-39-4) is:
Product Name: 2-Propylheptanic acid
CAS Registry Number: 31080-39-4
IUPAC Name: 2-propylheptanoic acid
Molecular Weight: 172.2646 [g/mol]
Molecular Formula: C10H20O2
XLogP3: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Surface Tension: 32.1 dyne/cm
Density: 0.913 g/cm3
Flash Point: 142.3 °C
Enthalpy of Vaporization: 56.12 kJ/mol
Boiling Point: 271.6 °C at 760 mmHg
Vapour Pressure: 0.00178 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | intraperitoneal | 1gm/kg (1000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953. | |
| rat | LDLo | oral | 2500mg/kg (2500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
2-Propylheptanic acid , its cas register number is 31080-39-4. It also can be called 2-02-00-00313 (Beilstein Handbook Reference) ; 2-Propylheptansaeure ; 2-Propylheptansaeure [German] ; 4-Nonanecarboxylic acid ; BRN 1758026 ; Heptanoic acid, 2-propyl- .