1,3-Propanediol,2-ethyl-2-methyl- supplier

Name
2-ETHYL-2-METHYL-1,3-PROPANEDIOL
EINECS 201-062-3
CAS No. 77-84-9
Article Data14
CAS DataBase
Density 0.963 g/cm³
Solubility almost transparency
Melting Point 43 ºC
Formula C₆H₁₄O₂
Boiling Point 225.8 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 96.1 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-2-ethyl-1,3-propanediol;
PSA 40.46000
LogP 0.38730

Synthetic route

: 2049-70-9
diethyl 2-ethyl-2-methylmalonate

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 20℃; for 4h;	94%
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride In diethyl ether for 3h; Heating;

: 123-91-1
1,4-dioxane

: 922-63-4
ethylacrolein

A: 137-32-6
(+/-)-2-methyl-1-butanol

B: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With formaldehyd; hydroquinone	A 61.5% B n/a

...Expand

: 1629-58-9
4-penten-3-one

A: 6032-29-7
(+/-)-2-pentanol

B: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With formaldehyd; hydroquinone In 1,4-dioxane; ethanol	A 57.5% B n/a

: 123-91-1
1,4-dioxane

: 922-63-4
ethylacrolein

A: 6032-29-7
(+/-)-2-pentanol

B: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With formaldehyd; hydroquinone	A 55.9% B n/a

...Expand

: 1629-58-9
4-penten-3-one

A: 137-32-6
(+/-)-2-methyl-1-butanol

B: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With sodium hydroxide; formaldehyd; hydroquinone In 1,4-dioxane; ethanol	A 55.7% B n/a

: 50-00-0
formaldehyd

: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With potassium carbonate
With potassium hydroxide; water

: 1112-47-6
2-(hydroxymethyl)-2-methylbutanal

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
With potassium hydroxide

: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 2: alcoholic KOH-solution View Scheme

Na2SO4·10H2O: Na2SO4·10H2O

: 2049-70-9
diethyl 2-ethyl-2-methylmalonate

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

Conditions

Conditions	Yield
In diethyl ether

: 1445-45-0
Trimethyl orthoacetate

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 656241-03-1
2-acetoxymethyl-2-methylbutanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 1h;	91%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 10312-83-1
methoxyacetaldehyde

: 2-methoxymethyl-5-ethyl-5-methyl-1,3-dioxane

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In chloroform	89%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 31643-49-9
4-Nitrophthalonitrile

A: 130326-30-6
4-(2-(hydroxymethyl)-2-methylbutoxy)benzene-1,2-dicarbonitrile

B: 93673-02-0
1,3-bis(3',4'-dicyanophenyl)-2-ethyl-2-methylpropane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 48h; Ambient temperature; Yields of byproduct given;	A 86% B n/a
With potassium carbonate In N,N-dimethyl-formamide for 48h; Ambient temperature; Yield given. Yields of byproduct given;

...Expand

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 57648-76-7
N-(1,2-dimethylethenylenedioxyphosphoryl)imidazole

: 3-(5-Ethyl-5-methyl-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yloxy)-butan-2-one

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 1h;	85%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 102-04-5
1,3-Diphenylpropanone

: 5-ethyl-2,2-dibenzyl-5-methyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	80%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 7727-18-6
vanadium(V) oxychloride

: {(VOCl)(μ-OCH2C(CH3)(C2H5)CH2O)}4

Conditions

Conditions	Yield
In dichloromethane byproducts: HCl; (Ar or N2); to a soln. of 2-ethyl-2-methyl-1,3-propanediol added a soln. of VOCl3 and stirred for 30 min; hexane added; evapd.; filtered; recrystd. from CH2Cl2/pentane; elem. anal.;	79%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 637-88-7
1,4-Cyclohexanedione

: 3,12-Diethyl-3,12-dimethyl-1,5,10,14-tetraoxa-dispiro[5.2.5.2]hexadecane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	72%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 67-64-1
acetone

: 5-ethyl-2,2,5-trimethyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	70%

: 123-19-3
4-heptanone

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 5-ethyl-5-methyl-2,2-dipropyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	62%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 96-22-0
pentan-3-one

: 2,2,5-triethyl-5-methyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	60%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 98-88-4
benzoyl chloride

: 2-phenyl-5-methyl-5-ethyl-1,3-dioxanium hexachloroantimonate

Conditions

Conditions	Yield
With antimonypentachloride In dichloromethane for 0.05h; Heating;	40%

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 31643-49-9
4-Nitrophthalonitrile

A: 30757-50-7
4-hydroxy-1,2-benzenedicarbonitrile

B: 93673-02-0
1,3-bis(3',4'-dicyanophenyl)-2-ethyl-2-methylpropane

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide	A 560 mg B 37%

...Expand

: 50-00-0
formaldehyd

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 13432-74-1
5-ethyl-5-methyl-[1,3]dioxane

Conditions

Conditions	Yield
With hydrogenchloride

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 500541-53-7
2,2-bis-bromomethyl-butane

Conditions

Conditions	Yield
With phosphorus tribromide
With phosphorus tribromide

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 40894-01-7
2-bromomethyl-2-methyl-butan-1-ol

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 595-84-6
2-ethyl-2-methylmalonic acid

Conditions

Conditions	Yield
With potassium permanganate

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 3124-54-7
4-ethyl-4-methyl-2,6-dioxa-heptanedioic acid diamide

Conditions

Conditions	Yield
/BRN= 1803039/;

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 6922-55-0
2-(hydroxymethyl)-2-methylbutanoic acid

Conditions

Conditions	Yield
With alkaline aqueous potassium permanganate

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 75-07-0
acetaldehyde

: 39087-06-4
5-ethyl-2,5-dimethyl-[1,3]dioxane

Conditions

Conditions	Yield
With hydrogenchloride

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 64-19-7
acetic acid

: acetic acid-(1-bromomethyl-1-methyl-butyl ester)

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 1-iodo-2-iodomethyl-2-methyl-butane

Conditions

Conditions	Yield
With triphenyl phosphite; methyl iodide Heating;

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 1885-14-9
phenyl chloroformate

: 3124-54-7
4-ethyl-4-methyl-2,6-dioxa-heptanedioic acid diamide

Conditions

Conditions	Yield
(i) Py, (ii) liq. NH3; Multistep reaction;

: 77-84-9
2-ethyl-2-methyl-1,3-propanediol

: 623-27-8
terephthalaldehyde,

A: (trans-trans)-1,4-bis(5-ethyl-5-methyl-1,3-dioxan-2-yl)benzene

B: (trans-cis)-1,4-bis(5-ethyl-5-methyl-1,3-dioxan-2-yl)benzene

C: (cis-cis)-1,4-bis(5-phenyl-1,3-dioxan-2-yl)benzene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

1,3-Propanediol,2-ethyl-2-methyl- Specification

The 1,3-Propanediol,2-ethyl-2-methyl-, with the CAS registry number 77-84-9, is also known as 2-Methyl-2-ethyl-1,3-propanediol. Its EINECS registry number is 201-062-3. This chemical's molecular formula is C₆H₁₄O₂ and molecular weight is 118.1742. What's more, both its IUPAC name and systematic name are the same which is 2-Ethyl-2-methylpropane-1,3-diol.

Physical properties about 1,3-Propanediol,2-ethyl-2-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.17; (8)ACD/KOC (pH 7.4): 30.17; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 32.88 cm³; (15)Molar Volume: 122.6 cm³; (16)Polarizability: 13.03×10^-24 cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 0.963 g/cm³; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 53.75 kJ/mol; (21)Boiling Point: 225.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0168 mmHg at 25 °C.

Use of 1,3-Propanediol,2-ethyl-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Phenyl-5-methyl-5-ethyl-1,3-dioxanium hexachloroantimonate. The reaction occurs with reagent SbCl₅ and solvent CH₂Cl₂. This reaction will occur at the condition of heating for 3 mins. The yield is 40%.

1,3-Propanediol,2-ethyl-2-methyl- is used to produce 2-Phenyl-5-methyl-5-ethyl-1,3-dioxanium hexachloroantimonate

When you are dealing with this chemical, you should be very careful. You must avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(C)(CC)CO
(2) InChI: InChI=1/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3
(3) InChIKey: VNAWKNVDKFZFSU-UHFFFAOYAD

Product Name

2-ETHYL-2-METHYL-1,3-PROPANEDIOL

Synthetic route

1,3-Propanediol,2-ethyl-2-methyl- Specification

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