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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 |
pentan-1-ol
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% |
2-pentyl-pent-4-en-1-ol
2-propylheptan-1-ol
Conditions | Yield |
---|---|
With ethanol; platinum Hydrogenation; dextrorotatory form of 4-oxymethyl-nonane; |
Conditions | Yield |
---|---|
With copper |
2-propyl-1-heptene
2-propylheptan-1-ol
Conditions | Yield |
---|---|
(i) NaBH4, AlCl3, diglyme, (ii) aq. NaOH, aq. H2O2; Multistep reaction; |
Conditions | Yield |
---|---|
With nickel |
2-propylheptan-1-ol
Conditions | Yield |
---|---|
With air at 500℃; for 0.0277778h; Formation of xenobiotics; |
nonan-4-one
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
2-propylheptan-1-ol
B
2-propyl-1-heptene
C
2-propylheptyl acrylate
D
2-propyleheptyl methacrylate
Conditions | Yield |
---|---|
at 450℃; Pyrolysis; |
A
2-propylheptan-1-ol
B
methane
C
carbon dioxide
D
carbon monoxide
E
2-propylheptyl acrylate
F
2-propyleheptyl methacrylate
Conditions | Yield |
---|---|
at 550℃; Pyrolysis; |
Conditions | Yield |
---|---|
at 350℃; Pyrolysis; |
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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
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. |
Reported in EPA TSCA Inventory.
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..
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 .