Basic information
- CAS
23147-58-2- Standard SMILES
OC1COC(O)CO1- InChIKey
ATFVTAOSZBVGHC-UHFFFAOYSA-N- Molecular formula
- C4H8O4
- Average molar mass
- 120.1 g/mol
- Monoisotopic mass
- 120.04225874
Overview
Glycolaldehyde dimer is a member of dioxanes.
Names & identifiers
- Preferred name
- Glycolaldehyde dimer
- IUPAC
- 1,4-dioxane-2,5-diol
- English name
- GLYCOLALDEHYDE DIMER
- Molecular formula
- C4H8O4
- Molecular weight
- 120.1
Names & synonyms
Glycolaldehyde dimerRefChem:143913ATFVTAOSZBVGHC-UHFFFAOYSA-N1,4-Dioxane-2,5-diol23147-58-22,5-Dihydroxy-1,4-dioxaneGlycoaldehyde dimer14-Dioxane-25-diolMFCD00012133Hydroxyacetaldehyde dimerGlycerol aldehyde dimer2,5-DIHYDROXY-P-DIOXANE
Show more names
LYCOLALDEHYDE DIMERGlucoseImpurity3p-Dioxane-2,5-diolGlucose Impurity N3
SCHEMBL52731[1,4]-dioxan-2,5-diol1,4-Dioxane-2,5-diol #JNG39F464RDTXSID60945822s3334Glycoaldehyde dimer [MI]UNII-JNG39F464R
Database identifiers
- CAS
23147-58-2- PubChem CID
- 186078
- DTXSID
DTXSID60945822- ChEBI
CHEBI:166511- EC Number
- 607-202-3
- Nikkaji
- J1.059.178C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.4
Physicochemical properties
- Melting point
- 85 °C · ~85 °C
- Boiling point
- 312.4 · 312.4±42.0 °C(Predicted)
- Density
- 1.455 · 1.455
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 0.1 g/mL, clear, colorless
- form
- crystalline
- pka
- 11.97 · 11.97±0.40(Predicted)
- color
- White to Off-White
- BRN
- 506029 · 506029
- InChI
- InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
- InChIKey
- ATFVTAOSZBVGHC-UHFFFAOYSA-N
- SMILES
- O1CC(O)OCC1O
- CAS DataBase Reference
- 23147 · 23147-58-2(CAS DataBase Reference)
- FDA UNII
- 39 F464R · JNG39F464R
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesGlycoaldehyde Dimer is derivative of glcoaldehyde, which is the precursor molecule of various significant compounds including amino acid glycine and in the formose reaction.
UsesGlycolaldehyde dimer may be used in the synthesis of 3,4-diaza-2-hexene-1,6-diol, which can undergo hydrogenation to form 1,2-bis(2-hydroxyethyl)hydrazine. It undergoes cycloaddition with 2,3-dihydrofuran in the presence of a chiral catalyst to form fused bicyclic tetrahydrofuran (bis-THF) alcohol, a key moiety of HIV protease inhibitors.
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Related reactions
19 records
Compound notes
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