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541389

Sigma-Aldrich

2,2-Dimethyl-1,3-dioxolan-4-one

96%

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About This Item

Empirical Formula (Hill Notation):
C5H8O3
CAS Number:
4158-86-5
Molecular Weight:
116.12
MDL number:
MFCD03093984
UNSPSC Code:
12352100
PubChem Substance ID:
24878532
NACRES:
NA.22

Quality Level

100

Assay

96%

refractive index

n20/D 1.415 (lit.)

bp

41 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

functional group

ester
ether
ketal

SMILES string

CC1(C)OCC(=O)O1

InChI

1S/C5H8O3/c1-5(2)7-3-4(6)8-5/h3H2,1-2H3

InChI key

JKUCOZWILDFXMF-UHFFFAOYSA-N

General description

2,2-Dimethyl-1,3-dioxolan-4-one can be prepared via condensation reaction between glycolic acid and acetone in the presence of P2O5 in diethyl ether.

Application

2,2-Dimethyl-1,3-dioxolan-4-one may be used in the synthesis of the following N,N-disubstituted amides of glycolic acid:
  • N,N-diethyl-2-hydroxyacetamide
  • N,N-di(n-butyl)-2-hydroxyacetamide
  • N,N-di(n-hexyl)-2-hydroxyacetamide
  • 4-hydroxyacetylpiperidine
  • 4-hydroxyacetylmorpholine
  • N-ethyl-N-phenyl-2-hydroxyacetamide

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

135.0 °F - closed cup

Flash Point(C)

57.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

541389-VAR:
541389-BULK:
541389-5G:
541389-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL8290
MKBP6312V
MKBD1694
01329EJ
10619LD

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A novel method for the synthesis of 2, 2-dimethyl-1, 3-dioxolan-4-one, and its reactions with secondary amines.
Boyko VI, et al.
Synthesis, 2007(14), 2095-2096 (2007)

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