Product Name

  • Name

    2-(HYDROXYMETHYL)-1,3-PROPANEDIOL

  • EINECS 225-187-8
  • CAS No. 4704-94-3
  • Article Data11
  • CAS DataBase
  • Density 1.213 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 4704-94-3 (2-(HYDROXYMETHYL)-1,3-PROPANEDIOL)
  • Hazard Symbols
  • Synonyms Trimethylolmethane;Tris(hydroxymethyl)methane;
  • PSA 60.69000
  • LogP -1.42050

Synthetic route

2-Benzoyloxymethyl-1,3-propanediol dibenzoate
113967-50-3

2-Benzoyloxymethyl-1,3-propanediol dibenzoate

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

Conditions
ConditionsYield
With sodium methylate In methanol for 20h; Heating;98%
With sodium methylate In methanol for 20h; Time; Reflux;90%
[2-(4-methoxyphenyl)-[1,3]dioxan-5-yl]methanol
465540-17-4

[2-(4-methoxyphenyl)-[1,3]dioxan-5-yl]methanol

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

Conditions
ConditionsYield
With water; Selectfluor In acetonitrile at 20℃; for 5h;90%
methanetricarboxylic acid triethyl ester
6279-86-3

methanetricarboxylic acid triethyl ester

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

Conditions
ConditionsYield
With dimethylsulfide borane complex 1.) reflux, 8 h, 2.) methanol, 15 h;83%
With lithium aluminium tetrahydride; diethyl ether
bis-(hydroxymethyl)-acetaldehyde
40364-80-5

bis-(hydroxymethyl)-acetaldehyde

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

Conditions
ConditionsYield
With hydrogen; ruthenium In water at 25℃; under 2585.7 Torr; for 24h; Yield given;
PtO2 In water
formaldehyd
50-00-0

formaldehyd

acetaldehyde
75-07-0

acetaldehyde

A

2,2-di(hydroxymethyl)-acetic acid
68516-39-2

2,2-di(hydroxymethyl)-acetic acid

B

Pentaerythritol
115-77-5

Pentaerythritol

C

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

D

α,α,α-tris(hydroxymethyl)acetic acid
2831-90-5

α,α,α-tris(hydroxymethyl)acetic acid

E

2-Hydroxymethyl-2-(methoxymethoxymethyl)-1,3-propandiol
68658-38-8

2-Hydroxymethyl-2-(methoxymethoxymethyl)-1,3-propandiol

F

trimethyleneglycol
504-63-2

trimethyleneglycol

Conditions
ConditionsYield
With calcium hydroxide Mechanism;
formaldehyd
50-00-0

formaldehyd

acetaldehyde
75-07-0

acetaldehyde

A

Pentaerythritol
115-77-5

Pentaerythritol

B

2-methyl-1.3-propanediol
2163-42-0

2-methyl-1.3-propanediol

C

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

D

trimethyleneglycol
504-63-2

trimethyleneglycol

Conditions
ConditionsYield
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;
formaldehyd
50-00-0

formaldehyd

acrolein
107-02-8

acrolein

A

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

B

trimethyleneglycol
504-63-2

trimethyleneglycol

Conditions
ConditionsYield
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;
glycerol tristearate
555-43-1

glycerol tristearate

A

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

B

stearic acid
57-11-4

stearic acid

Conditions
ConditionsYield
With lipase from Pseudomonas stutzeri PS59 In aq. phosphate buffer; isopropyl alcohol at 30℃; for 0.25h; pH=8; Enzymatic reaction;
glyceroltripalmitate
555-44-2

glyceroltripalmitate

A

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

B

1-hexadecylcarboxylic acid
57-10-3

1-hexadecylcarboxylic acid

Conditions
ConditionsYield
With lipase from Pseudomonas stutzeri PS59 In aq. phosphate buffer; isopropyl alcohol at 30℃; for 0.25h; pH=8; Enzymatic reaction;
trioleoylglycerol
122-32-7

trioleoylglycerol

A

cis-Octadecenoic acid
112-80-1

cis-Octadecenoic acid

B

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

Conditions
ConditionsYield
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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