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Name |
2-Propylheptanic acid |
EINECS | N/A |
CAS No. | 31080-39-4 | Density | 0.913g/cm3 |
PSA | 37.30000 | LogP | 3.06760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H20 O2 | Boiling Point | 271.6°Cat760mmHg |
Molecular Weight | 172.268 | Flash Point | 142.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Propylheptanoicacid; Isocarb 10 |
Article Data | 5 |
2-(n-propyl)-heptanal
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; |
pentanal
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 |
non-1-ene
carbon monoxide
A
2-methylnonanoic acid
B
2-propyl heptanoic acid
C
nonane-3-carboxylic acid
D
2-butylhexanoic acid
Conditions | Yield |
---|---|
(i) BF3*H2SO4, (ii) H2O; Multistep reaction; | |
With sulfuric acid at -5℃; under 76000 Torr; |
2-propylheptenal
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; |
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
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. |
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
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- .