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Name	2-Propyl-1-heptanol	EINECS	233-126-1
CAS No.	10042-59-8	Density	0.827 g/cm³
PSA	20.23000	LogP	2.97530
Solubility	Insoluble in water. Miscible with most common organic solvents.	Melting Point	-1.53°C (estimate)
Formula	C₁₀H₂₂O	Boiling Point	217.499 °C at 760 mmHg
Molecular Weight	158.284	Flash Point	87.141 °C
Transport Information	N/A	Appearance	Light yellow oil
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Propylheptanol;	Article Data	18

2-Propyl-1-heptanol Synthetic route

: 71-41-0
pentan-1-ol

: 10042-59-8
2-propylheptan-1-ol

Conditions

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

Conditions	Yield
With ethanol; platinum Hydrogenation; dextrorotatory form of 4-oxymethyl-nonane;

: 71-41-0
pentan-1-ol

: 1941-84-0
sodium pentanolate

: 10042-59-8
2-propylheptan-1-ol

Conditions

Conditions	Yield
With copper

: 33717-91-8
2-propyl-1-heptene

: 10042-59-8
2-propylheptan-1-ol

Conditions

Conditions	Yield
(i) NaBH4, AlCl3, diglyme, (ii) aq. NaOH, aq. H2O2; Multistep reaction;

: 71-41-0
pentan-1-ol

potassium pentylate: potassium pentylate

: 10042-59-8
2-propylheptan-1-ol

Conditions

Conditions	Yield
With nickel

high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg: high-density polyethylene, carbon content: 85.3 wt percent, hydrogen content: 14.7 wt percent, net calorific value: 10273 kcal/kg

: 10042-59-8
2-propylheptan-1-ol

Conditions

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

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

poly(2-propylheptyl acrylate): poly(2-propylheptyl acrylate)

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

Conditions	Yield
at 450℃; Pyrolysis;

poly(2-propylheptyl acrylate): poly(2-propylheptyl acrylate)

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

Conditions	Yield
at 550℃; Pyrolysis;

...Expand

poly(2-propylheptyl acrylate): poly(2-propylheptyl acrylate)

A: 10042-59-8
2-propylheptan-1-ol

B: 33717-91-8
2-propyl-1-heptene

C: 149021-58-9
2-propylheptyl acrylate

Conditions

Conditions	Yield
at 350℃; Pyrolysis;

2-Propyl-1-heptanol Chemical Properties

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

2-Propyl-1-heptanol 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.

2-Propyl-1-heptanol Consensus Reports

Reported in EPA TSCA Inventory.

2-Propyl-1-heptanol 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..

2-Propyl-1-heptanol 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 .

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