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Home > Encyclopedia > 1,2-Pentanediol

1,2-Pentanediol

1,2-Pentanediol structure

1,2-Pentanediol 

structure
  • CAS No:

    5343-92-0

  • Formula:

    C5H12O2

  • Chemical Name:

    1,2-Pentanediol

  • Synonyms:

    1,2-Pentanediol;1,2-Dihydroxypentane;(±)-Pentane-1,2-diol;NSC 513;1,2-Pentylene glycol;Hydrolite 5;Diol PD;91049-43-3

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

CLEAR COLOURLESS TO SLIGHTLY YELLOW OILY LIQUID

1,2-Pentanediol Basic Attributes

104.15

104.15

226-285-3

513

2905399090

Characteristics

40.5

0.2

Clear colorless to light yellow Liquid

0.9691 g/cm3 @ Temp: 24 °C

50.86°C (estimate)

210-211 °C

104 °C

1.443

Micible with water.

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

NONH for all modes of transport

1

36/38

24/25

SA0455000

P264, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P331, P332+P313, P337+P313, P362, P405, P501

H304

|Danger|H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P264, P280, P301+P310, P305+P351+P338, P310, P331, P337+P313, P405, and P501|Aggregated GHS information provided by 954 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1,2-dihydroxypentane

1,2-Pentanediol Use and Manufacturing

Methods of Manufacturing

Its preparation method uses 1-pentene, hydrogen peroxide and formic acid as raw materials, and its molar ratio is 1:1.5:4. The reaction equilibrium mixture is formed by the following procedure: slowly add 1-pentene and hydrogen peroxide (70%) to the formic acid at 40~55℃ at the same time, after the addition, stir the mixture at 55℃ for 1h, Move into the circulating reactor, which has a circulating pump and overflow siphon, is heated to 55°C and circulates, and then 1-pentene and formic acid are added, and hydrogen peroxide is added from the other. When an exothermic reaction occurs, the temperature is allowed to rise to 62-63°C, and these components are added at a certain ratio and speed. The equilibrium operation is controlled by a circulating thermostat for about 8 hours. The reaction stops and a large amount of 1, 2-pentanediol is obtained. The formic acid ester is distilled under reduced pressure to remove formic acid and water, and the residue obtained is added with 25% NaOH solution for hydrolysis, solvent extraction and distillation to obtain 1, 2-pentanediol, the yield can reach 91%, m p. 96~98℃/1.3kPa.

Uses

1,2-pentanediol is an important intermediate of the fungicide propiconazole.

1,2-Pentanediol: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Computed Properties

Molecular Weight:104.15
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:37.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Moisturizer, solvent, and preservative

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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