2-Propyl-1-heptanol supplier | CasNO.10042-59-8

Name
2-PROPYL-1-HEPTANOL
EINECS 233-126-1
CAS No. 10042-59-8
Article Data18
CAS DataBase
Density 0.827 g/cm³
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
Appearance Light yellow oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propylheptanol;
PSA 20.23000
LogP 2.97530

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;

...Expand

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;

...Expand

: 34880-43-8
2-propylheptenal

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

Conditions

Conditions	Yield
With hydrogen; Ru/Al2O3 at 180℃; under 18751.9 Torr; Product distribution / selectivity;

: 110-62-3
pentanal

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

B: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
With hydrogen at 200℃; under 22502.3 Torr; for 6h; Catalytic behavior; Reagent/catalyst; Autoclave;
Stage #1: pentanal at 200℃; for 1.5h; Aldol Condensation; Autoclave; Inert atmosphere; Stage #2: With hydrogen under 30003 Torr; for 8h; Catalytic behavior; Pressure; Temperature; Autoclave;
With hydrogen at 200℃; under 22502.3 Torr; for 6h; Reagent/catalyst; Autoclave;

: 110-62-3
pentanal

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

B: 71-41-0
pentan-1-ol

C: 34880-43-8
2-propylheptenal

D: 76058-49-6
2-(n-propyl)-heptanal

Conditions

Conditions	Yield
With hydrogen at 200℃; under 22502.3 Torr; for 6h; Autoclave;
With hydrogen at 200℃; under 22502.3 Torr; for 6h; Autoclave;

...Expand

: 110-62-3
pentanal

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

B: 71-41-0
pentan-1-ol

C: 76058-49-6
2-(n-propyl)-heptanal

Conditions

Conditions	Yield
Stage #1: pentanal at 190℃; for 1.5h; Aldol Condensation; Autoclave; Inert atmosphere; Stage #2: With hydrogen under 15001.5 Torr; for 6h; Pressure; Autoclave;
With hydrogen at 200℃; under 22502.3 Torr; for 6h; Autoclave;

...Expand

: 110-62-3
pentanal

: 123-72-8
butyraldehyde

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

B: 104-76-7
2-Ethylhexyl alcohol

C: 817-46-9
2-propylhexanol

D: 817-60-7
2-ethylheptanol

Conditions

Conditions	Yield
Stage #1: pentanal; butyraldehyde With sodium hydroxide In water at 20 - 130℃; for 3.25h; Stage #2: With hydrogen In water

...Expand

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

: 292638-85-8
acrylic acid methyl ester

: 149021-58-9
2-propylheptyl acrylate

Conditions

Conditions	Yield
With sodium methylate; dimethyltin dichloride; 4-methoxy-phenol In methanol; cyclohexane at 86 - 114℃; Solvent; Large scale;	99.6%

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

: 79-10-7
acrylic acid

: 149021-58-9
2-propylheptyl acrylate

Conditions

Conditions	Yield
With dimethylphosphinic acid; toluene-4-sulfonic acid; 4-methoxy-phenol; copper dichloride In cyclohexane; water at 85 - 99℃; for 5h;	99%
With methanesulfonic acid; hypophosphorous acid; 4-methoxy-phenol; copper dichloride In cyclohexane; water at 60 - 75℃; for 2h; Reflux;	97%
With methanesulfonic acid In water at 120℃; Industrial scale;

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

: 88-99-3
benzene-1,2-dicarboxylic acid

: 53306-54-0
di(2-propylheptyl) phthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;	99%
In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 6h; Reagent/catalyst; Solvent; Temperature;

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

: 4-(bromomethyl)nonane

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide at 109.84℃; for 3.5h;	95%

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

: 358-23-6
trifluoromethylsulfonic anhydride

: 885501-50-8
2-propyl-1-heptyl triflate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.333333h;	94.1%
In dichloromethane at 20℃; for 0.333333h;	94.1%
In dichloromethane at 20℃; for 0.333333h;

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

: 885501-50-8
2-propyl-1-heptyl triflate

Conditions

Conditions	Yield
With trifluoromethanesulfonic acid anhydride In dichloromethane	94.1%
With trifluoromethanesulfonic acid anhydride In dichloromethane	94.1%

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

: tris(2-propyl-1-heptyl) phosphate

Conditions

Conditions	Yield
With tetrabutoxytitanium; trichlorophosphate at 60 - 80℃; under 600.06 - 750.075 Torr; for 5h; Reagent/catalyst; Pressure; Green chemistry;	92.5%

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

: 19550-58-4
dimethyl 2,5-dimethylhexanedioate

: di(2-propylheptyl)-2,5-dimethyladipate

Conditions

Conditions	Yield
With sulfuric acid at 140℃; for 2h;	66.7%

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

: 106-89-8
epichlorohydrin

: 1-chloro-3-(2-propyl-heptyloxy)-propan-2-ol

Conditions

Conditions	Yield
Stage #1: 2-propylheptan-1-ol With boron trifluoride diethyl etherate at 20 - 50℃; Stage #2: epichlorohydrin at 50℃; for 4.5h;	60%
With tin(IV) chloride at 90℃; for 19h;
boron trifluoride diethyl etherate at 50℃; for 4.5h; Neat (no solvent);
With tin(ll) chloride at 90℃; for 19h;

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

: 3238-40-2
furan-2,5-dicarboxylic acid

: 2,5-furandicarboxylic acid bis(2-propyl-heptyl) ester

Conditions

Conditions	Yield
With sulfuric acid In water; toluene Reflux;	58%

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

: 2,5-tetrahydrofurandicarboxylic acid dimethyl ester

: 2,5-tetrahydrofurandicarboxylic acid bis(2-propyl-heptyl) ester

Conditions

Conditions	Yield
In tetrahydrofuran; n-heptane at 100 - 126℃; for 22h;	58%

: 17573-92-1
3-methoxy-thiophene

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

: C14H24OS

Conditions

Conditions	Yield
With sodium hydrogen sulfate In toluene at 130℃; for 19h; Inert atmosphere; Schlenk technique;	55.4%

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

: 2-propyl-heptanoyl chloride

Conditions

Conditions	Yield
With potassium permanganate; sulfuric acid und Behandeln des Reaktionsprodukts mit Thionylchlorid;

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

: 3542-42-5
bis-(2-propyl-heptyloxy)-disulfane

Conditions

Conditions	Yield
With disulfur dichloride; triethylamine In dichloromethane at 5 - 15℃;

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

: 7789-69-7
phosphorus pentabromide

: 4-(bromomethyl)nonane

Conditions

Conditions	Yield
dextrorotatory form of 4-oxymethyl-nonane;

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

: C28H38N3(1+)*CF3SO3(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94.1 percent / CH2Cl2 / 0.33 h / 20 °C 2: CH2Cl2 / 12 h / 20 °C View Scheme

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

: C36H44N3(1+)*CF3SO3(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94.1 percent / CH2Cl2 / 0.33 h / 20 °C 2: CH2Cl2 / 4 h / 20 °C View Scheme

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

: 2-{4-[3,5-dimethyl-1-(2-propyl-heptyl)-1H-pyridin-4-ylidene]-3,5-dimethyl-cyclohexa-2,5-dienylidene}-malononitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: CH2Cl2 / 0.33 h / 20 °C 2.1: CH2Cl2 / 12 h / 20 °C 2.2: 66.9 percent / sodium methoxide / methanol; CH2Cl2 / 0.17 h / 20 °C View Scheme

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

: 2-[4-(2-{4-[3,5-dimethyl-1-(2-propyl-heptyl)-1H-pyridin-4-ylidene]-3,5-dimethyl-cyclohexa-2,5-dienylidene}-ethylidene)-cyclohexa-2,5-dienylidene]-malononitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: CH2Cl2 / 0.33 h / 20 °C 2.1: CH2Cl2 / 4 h / 20 °C 2.2: 65.7 percent / sodium methoxide / methanol; CH2Cl2 / 0.17 h / 20 °C View Scheme

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

: 556-52-5
oxiranyl-methanol

: C13H28O3

Conditions

Conditions	Yield
boron trifluoride diethyl etherate In xylene at 80℃; for 5h;

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 .

Product Name

2-PROPYL-1-HEPTANOL

Synthetic route

2-Propyl-1-heptanol Chemical Properties

2-Propyl-1-heptanol Toxicity Data With Reference

2-Propyl-1-heptanol Consensus Reports

2-Propyl-1-heptanol Safety Profile

2-Propyl-1-heptanol Specification

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