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Cas Database |
| Name |
2-Hydroxymethyl-1,3-propanediol |
EINECS | 225-187-8 |
| CAS No. | 4704-94-3 | Density | 1.213 g/cm3 |
| PSA | 60.69000 | LogP | -1.42050 |
| Solubility | N/A | Melting Point |
63-68 °C (dec.)(lit.) |
| Formula | C4H10O3 | Boiling Point | 294.9 °C at 760 mmHg |
| Molecular Weight | 106.122 | Flash Point | 153.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Trimethylolmethane;Tris(hydroxymethyl)methane; |
Article Data | 11 |
2-Hydroxymethyl-1,3-propanediol Synthetic route
- 113967-50-3
2-Benzoyloxymethyl-1,3-propanediol dibenzoate
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 20h; Heating; | 98% |
| With sodium methylate In methanol for 20h; Time; Reflux; | 90% |
- 465540-17-4
[2-(4-methoxyphenyl)-[1,3]dioxan-5-yl]methanol
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With water; Selectfluor In acetonitrile at 20℃; for 5h; | 90% |
| Conditions | Yield |
|---|---|
| With dimethylsulfide borane complex 1.) reflux, 8 h, 2.) methanol, 15 h; | 83% |
| With lithium aluminium tetrahydride; diethyl ether |
- 40364-80-5
bis-(hydroxymethyl)-acetaldehyde
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With hydrogen; ruthenium In water at 25℃; under 2585.7 Torr; for 24h; Yield given; | |
| PtO2 In water |
- 50-00-0
formaldehyd
- 75-07-0
acetaldehyde
A
- 68516-39-2
2,2-di(hydroxymethyl)-acetic acid
B
- 115-77-5
Pentaerythritol
C
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
D
- 2831-90-5
α,α,α-tris(hydroxymethyl)acetic acid
E
- 68658-38-8
2-Hydroxymethyl-2-(methoxymethoxymethyl)-1,3-propandiol
F
- 504-63-2
trimethyleneglycol
| Conditions | Yield |
|---|---|
| With calcium hydroxide Mechanism; |
- 50-00-0
formaldehyd
- 75-07-0
acetaldehyde
A
- 115-77-5
Pentaerythritol
B
- 2163-42-0
2-methyl-1.3-propanediol
C
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
D
- 504-63-2
trimethyleneglycol
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sulfuric acid; hydrogen; 5% activated charcoal-supported ruthenium catalyst 1.) 25 deg C, 30 min, 2.) 50 psi, 25 deg C, 4 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; | |
| With sodium hydroxide; sulfuric acid; hydrogen; Ru-carbon 1.) 25 deg C, 30 min, 2.) 50 psi, 25 deg C 4 h; Yield given. Multistep reaction. Yields of byproduct given; |
- 50-00-0
formaldehyd
- 107-02-8
acrolein
A
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
B
- 504-63-2
trimethyleneglycol
| Conditions | Yield |
|---|---|
| With sulfuric acid; hydrogen; iron(II) sulfate; palladium on activated charcoal; Ru-carbon 1.) 25 deg C, 5 h, 2.) 50 psi, 25 deg C, 42 h; Yield given. Multistep reaction. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With lipase from Pseudomonas stutzeri PS59 In aq. phosphate buffer; isopropyl alcohol at 30℃; for 0.25h; pH=8; Enzymatic reaction; |
- 555-44-2
glyceroltripalmitate
A
- 4704-94-3
2-hydroxymethyl-1,3-propanediol
B
- 57-10-3
1-hexadecylcarboxylic acid
| Conditions | Yield |
|---|---|
| With lipase from Pseudomonas stutzeri PS59 In aq. phosphate buffer; isopropyl alcohol at 30℃; for 0.25h; pH=8; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With lipase from Pseudomonas stutzeri PS59 In aq. phosphate buffer; isopropyl alcohol at 30℃; for 0.25h; pH=8; Enzymatic reaction; |
2-Hydroxymethyl-1,3-propanediol Chemical Properties
Molecular structure of 2-Hydroxymethyl-1,3-propanediol (CAS NO.4704-94-3) is:
Product Name: 2-Hydroxymethyl-1,3-propanediol
CAS Registry Number: 4704-94-3
IUPAC Name: 2-(hydroxymethyl)propane-1,3-diol
Empirical Formula: C4H10O3
Molecular Weight: 106.1204
EINECS: 225-187-8
Melting Point: 63-68 °C (dec.)(lit.)
Index of Refraction: 1.486
Molar Refractivity: 25.14 cm3
Molar Volume: 87.4 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.213 g/cm3
Flash Point: 153.9 °C
Enthalpy of Vaporization: 62.01 kJ/mol
Boiling Point: 294.9 °C at 760 mmHg
Vapour Pressure: 0.000165 mmHg at 25°C
InChI
InChI=1/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2
Smiles
C(CO)(CO)CO
2-Hydroxymethyl-1,3-propanediol Safety Profile
Safty information about 2-Hydroxymethyl-1,3-propanediol (CAS NO.4704-94-3) is:
Safety Statements: 22-24/25
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
WGK Germany: 3
F 3: Hygroscopic
2-Hydroxymethyl-1,3-propanediol Specification
2-Hydroxymethyl-1,3-propanediol , its cas register number is 4704-94-3. It also can be called Tris(hydroxymethyl)methane ; 2-(Hydroxymethyl)propane-1,3-diol .
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