CAS 51673-84-8 Acetaldehyde, 2,2-dimethoxy- (HCID 162650)

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Basic information

CAS: 51673-84-8
Standard SMILES: COC(C=O)OC
InChIKey: OGFKTAMJLKHRAZ-UHFFFAOYSA-N
Molecular formula: C4H8O3
Average molar mass: 104.1 g/mol
Monoisotopic mass: 104.04734412

Names & identifiers

Preferred name: Acetaldehyde, 2,2-dimethoxy-
IUPAC: 2,2-dimethoxyacetaldehyde
English name: Glyoxal dimethyl acetal
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

2,2-dimethoxyacetaldehydeGlyoxal dimethylacetalAcetaldehyde, 2,2-dimethoxy-RefChem:551501639-748-351673-84-8DimethoxyacetaldehydeGlyoxal dimethyl acetalAcetaldehyde, dimethoxy-2,2-Dimethoxyacetaldehyde(60 wt. % in H2O)MFCD00134410dimethoxy-acetaldehyde

Show more names

CgHgO32,2-DimethoxyacetaLdimethoxy-acetaldehyd2,2-diMethylethanal(DME)Acetaldehyde,2,2-dimethoxy-GLYOXAL 1,1-DIMETHYL ACETALGlyoxal 1-(dimethyl acetal)

2,2-dimethoxy-acetaldehyde2,2-Dimethoxy acetaldehydeGlyoxal dimethyl acetal, 60% aq. soln2,2-Dimethoxyacetaldehyde (60 wt. % in H2O)GLYOXALDIMETHYLACETAL2,2-dimethoxyethanalDimethoxy acetaldehydedimethoxyethanal

Database identifiers

CAS: 51673-84-8
PubChem CID: 162650
DTXSID: DTXSID5068659
EC Number: 639-748-3
Nikkaji: J646.521H

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 48.9

Physicochemical properties

Boiling point: 100 °C · 100 °C
Density: 1.15 g/mL · 1.15 g/mL at 25 °C
refractive index: 20 · n20/D 1.414
Flash point: 169 °F · 169 °F
storage temp.: 2 · 2-8°C
form: liquid
color: Clear colourless
Water Solubility: Fully miscible in water.
BRN: 1850744 · 1850744
InChI: InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
InChIKey: OGFKTAMJLKHRAZ-UHFFFAOYSA-N
SMILES: C(=O)C(OC)OC
EPA Substance Registry System: Acetaldehyde, dimethoxy- (51673-84-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: -
tsca: TSCA listed
ridadr: UN 2398 3/PG 2
hs_code: 2912490090
risk_code: 43-38-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
safety_code: 24-37-36/37-16
hazard_class: CBL
Storage Class: 10 - Combustible liquids
Hazard statements: H317
Excepted Quantities: Non-Hazardous
REACH Registrations: Active
Hazard Classifications: Skin Sens. 1

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetaldehyde, 2,2-dimethoxy-: ACTIVE

Applications · 2 items

UsesGlyoxal dimethyl acetal is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuffs.

General DescriptionThis product is a 60wt% solution of 2,2-dimethoxyacetaldehyde (glyoxal dimethyl acetal) in water. The aldol condensation of 2,2-dimethoxyacetaldehyde with acetoacetic ester in the absence of the catalyst and solvent has been reported. It participates in the synthesis of isoxazoline vinyl ester pseudopeptides and tetrahydro-β-carboline derivatives of barbituric acid analogs.