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| CAS No.: | 10042-59-8 |
|---|---|
| Name: | 2-PROPYL-1-HEPTANOL |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H22O |
| Molecular Weight: | 158.284 |
| Synonyms: | 2-Propylheptanol; |
| EINECS: | 233-126-1 |
| Density: | 0.827 g/cm3 |
| Melting Point: | -1.53°C (estimate) |
| Boiling Point: | 217.499 °C at 760 mmHg |
| Flash Point: | 87.141 °C |
| Solubility: | Insoluble in water. Miscible with most common organic solvents. |
| Appearance: | Light yellow oil |
| PSA: | 20.23000 |
| LogP: | 2.97530 |
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- 71-41-0
pentan-1-ol
- 10042-59-8
2-propylheptan-1-ol
| Conditions | Yield |
|---|---|
| With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene In para-xylene at 120℃; for 4h; Guerbet reaction; | 71% |
- 346447-01-6
2-pentyl-pent-4-en-1-ol
- 10042-59-8
2-propylheptan-1-ol
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; dextrorotatory form of 4-oxymethyl-nonane; |
| Conditions | Yield |
|---|---|
| With copper |
- 33717-91-8
2-propyl-1-heptene
- 10042-59-8
2-propylheptan-1-ol
| Conditions | Yield |
|---|---|
| (i) NaBH4, AlCl3, diglyme, (ii) aq. NaOH, aq. H2O2; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With nickel |
- 10042-59-8
2-propylheptan-1-ol
| Conditions | Yield |
|---|---|
| With air at 500℃; for 0.0277778h; Formation of xenobiotics; |
- 4485-09-0
nonan-4-one
- 10042-59-8
2-propylheptan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: (i) NaNH2, liq. NH3, (ii) /BRN= 1743603/, benzene 2: (i) NaBH4, AlCl3, diglyme, (ii) aq. NaOH, aq. H2O2 View Scheme |
A
- 10042-59-8
2-propylheptan-1-ol
B
- 33717-91-8
2-propyl-1-heptene
C
- 149021-58-9
2-propylheptyl acrylate
D
- 149855-64-1
2-propyleheptyl methacrylate
| Conditions | Yield |
|---|---|
| at 450℃; Pyrolysis; |
A
- 10042-59-8
2-propylheptan-1-ol
B
- 34557-54-5
methane
C
- 124-38-9
carbon dioxide
D
- 201230-82-2
carbon monoxide
E
- 149021-58-9
2-propylheptyl acrylate
F
- 149855-64-1
2-propyleheptyl methacrylate
| Conditions | Yield |
|---|---|
| at 550℃; Pyrolysis; |
| Conditions | Yield |
|---|---|
| at 350℃; Pyrolysis; |
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Chemistry
Molecular Structure of 2-Propylheptanol (10042-59-8):
EINECS: 233-126-1
IUPAC Name: 2-Propylheptan-1-ol
Molecular Formula: C10H22O
Molecular Weight: 158.281080 g/mol
XLogP3-AA: 3.8
H-Bond Donor :1
H-Bond Acceptor: 1
Canonical SMILES: CCCCCC(CCC)CO
InChI: InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
InChIKey: YLQLIQIAXYRMDL-UHFFFAOYSA-N
Index of Refraction: 1.434
Molar Refractivity: 49.87 cm3
Molar Volume: 191.4 cm3
Surface Tension: 28.9 dyne/cm
Density: 0.826 g/cm3
Flash Point: 87.1 °C
Enthalpy of Vaporization: 52.78 kJ/mol
Boiling Point: 217.5 °C at 760 mmHg
Vapour Pressure: 0.0283 mmHg at 25 °C
Water Solubility: 151.8 mg/L at 25 °C
BRN: 1361442
Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open MLD | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 2. | orl-rat LD50:6730 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
RTECS: MJ4800000
Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
Specification
2-Propylheptanol (10042-59-8) is known as 4-01-00-01827 (Beilstein Handbook Reference) ; AI3-25311 ; 1-Heptanol, 2-propyl- ; 2-Propylheptan-1-ol .