CAS No.3818-32-4,3-hydroxy-2,2-bis(hydroxymethyl)propionaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3818-32-4
Name:	3-hydroxy-2,2-bis(hydroxymethyl)propionaldehyde

Formula:	C₅H₁₀O₄
Molecular Weight:	134.132
Synonyms:	Hydracrylaldehyde,2,2-bis(hydroxymethyl)- (6CI,7CI,8CI);2,2,2-Tris(hydroxymethyl)ethanal;2,2-Bis(hydroxymethyl)-3-hydroxypropanal;Pentaerythrose;
EINECS:	223-305-2
Density:	1.329 g/cm³
Boiling Point:	379.683 °C at 760 mmHg
Flash Point:	197.601 °C
PSA:	77.76000
LogP:	-1.85140

Synthetic route

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

Conditions

Conditions	Yield
With sodium hydroxide; water
With sodium carbonate at 40 - 50℃;
With sodium carbonate at 40 - 50℃;

: 40364-88-3
2-dimethoxymethyl-2-hydroxymethyl-propane-1,3-diol

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

Conditions

Conditions	Yield
With sulfuric acid

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 3818-32-4
tri(hydroxymethyl)acetaldehyde

C: 126-58-9
Dipentaerythritol

D: 78-24-0
tripentaerythritol

E: 3-(3-Hydroxy-2,2-bis-hydroxymethyl-propoxy)-2,2-bis-hydroxymethyl-propionaldehyde

F: 3-[3-(3-Hydroxy-2,2-bis-hydroxymethyl-propoxy)-2,2-bis-hydroxymethyl-propoxy]-2,2-bis-hydroxymethyl-propionaldehyde

Conditions

Conditions	Yield
With sodium hydroxide at 30℃; Product distribution; Mechanism; pH=12.5; different initial acetaldehyde concentrations;

...Expand

: 40364-87-2
dimethoxymethyl-hydroxymethyl-malonic acid dimethyl ester

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: aq. H2SO4 View Scheme

: 115-77-5
Pentaerythritol

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

Conditions

Conditions	Yield
With potassium nitrate at 298.2℃; Kinetics; Catalytic behavior; Mechanism; Temperature; Alkaline conditions;

: 50-00-0
formaldehyd

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

aqueous NaOH-solution: aqueous NaOH-solution

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
at 0 - 41℃; Rate constant;

...Expand

: 3818-32-4
tri(hydroxymethyl)acetaldehyde

: 7732-18-5
water

triacetate of tris-hydroxymethyl-acetaldehyde: triacetate of tris-hydroxymethyl-acetaldehyde

Downstream Products

115-77-5

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Specification

The 3-Hydroxy-2,2-bis(hydroxymethyl)propanal, with the CAS registry number 3818-32-4, is also known as 2,2-Bis(hydroxymethyl)-3-hydroxypropanal. Its EINECS number is 223-305-2. This chemical's molecular formula is C₅H₁₀O₄ and molecular weight is 134.13. What's more, its systematic name is 3-Hydroxy-2,2-bis(hydroxymethyl)propanal.

Physical properties of 3-Hydroxy-2,2-bis(hydroxymethyl)propanal are: (1)ACD/LogP: -2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -2.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 77.76 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 29.971 cm³; (15)Molar Volume: 100.954 cm³; (16)Polarizability: 11.881×10^-24cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.329 g/cm³; (19)Flash Point: 197.601 °C; (20)Enthalpy of Vaporization: 72.613 kJ/mol; (21)Boiling Point: 379.683 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(CO)(CO)CO
(2)Std. InChI: InChI=1S/C5H10O4/c6-1-5(2-7,3-8)4-9/h1,7-9H,2-4H2
(3)Std. InChIKey: JCQKQWAONVEFJC-UHFFFAOYSA-N