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Name |
2-Methyl-2-propyl-1,3-propanediol |
EINECS | 201-099-5 |
CAS No. | 78-26-2 | Density | 0.95 g/cm3 |
PSA | 40.46000 | LogP | 0.77740 |
Solubility | N/A | Melting Point |
57-59 °C(lit.) |
Formula | C7H16O2 | Boiling Point | 234 °C at 760 mmHg |
Molecular Weight | 132.203 | Flash Point | 100.5 °C |
Transport Information | N/A | Appearance | white crystalline solid |
Safety | 22-24/25-39-26 | Risk Codes | 36-22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
AI3-24844;NSC 26233;2-Methyl-2-propyl-1,3-propanediol; |
Article Data | 7 |
5-Methyl-5-n-propyl-1,3-dioxan-2-one
A
methanol
B
2-methyl-2-propyl-1,3-propanediol
Conditions | Yield |
---|---|
With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2Br; hydrogen; sodium t-butanolate In tetrahydrofuran at 120℃; under 22502.3 Torr; for 26h; Schlenk technique; Glovebox; Autoclave; | A 94% B 98% |
Conditions | Yield |
---|---|
With potassium hydroxide; water |
methylpropylpropanedioic acid diethyl ester
2-methyl-2-propyl-1,3-propanediol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether | |
Stage #1: methylpropylpropanedioic acid diethyl ester With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; Stage #2: With water In tetrahydrofuran |
Conditions | Yield |
---|---|
With hydrogenchloride determination of concentration by ammonia selective electrodes; |
Conditions | Yield |
---|---|
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h; | 98% |
With toluene-4-sulfonic acid Heating; Yield given; |
Conditions | Yield |
---|---|
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h; | 98% |
Conditions | Yield |
---|---|
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h; | 97% |
With toluene-4-sulfonic acid Heating; Yield given; |
Conditions | Yield |
---|---|
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h; | 96% |
With toluene-4-sulfonic acid Heating; Yield given; |
Conditions | Yield |
---|---|
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h; | 96% |
With toluene-4-sulfonic acid Heating; Yield given; |
The 2-Methyl-2-propyl-1,3-propanediol, with the CAS registry number 78-26-2,is also known as 2,2-Bis(hydroxymethyl)pentane. It belongs to the product categories of Chemical Synthesis;Organic Building Blocks;Oxygen Compounds. This chemical's molecular formula is C7H16O2 and molecular weight is 132.20. Its EINECS number is 201-099-5.What's more,Its systematic name is 2-Methyl-2-propylpropane-1,3-diol.It is a Whgite Crystalline Solid which is intermediate in the synthesis of Carisoprodol.And it should be stored in the refrigerator.
Physical properties about 2-Methyl-2-propyl-1,3-propanediol are:
(1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1.9; (7)ACD/KOC (pH 5.5): 56.57; (8)ACD/KOC (pH 7.4): 56.57; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 37.514 cm3; (14)Molar Volume: 139.143 cm3; (15)Surface Tension: 35.3170013427734 dyne/cm; (16)Density: 0.95 g/cm3; (17)Flash Point: 100.53 °C; (18)Enthalpy of Vaporization: 54.717 kJ/mol; (19)Boiling Point: 233.999 °C at 760 mmHg; (20)Vapour Pressure: 0.00999999977648258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OCC(C)(CCC)CO;
(2)Std. InChI:InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3;
(3)Std. InChIKey:JVZZUPJFERSVRN-UHFFFAOYSA-N.
Safety Information of 2-Methyl-2-propyl-1,3-propanediol:
The 2-Methyl-2-propyl-1,3-propanediol is harmful if swallowed and irritating to the eyes.When you use it ,wear eye/face protection ,do not breathe dust,and avoid contact with skin and eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.