Basic information
- CAS
613-75-2- Standard SMILES
CC(=O)OC(OC(C)=O)c1ccco1- InChIKey
NHOCEIKFQXQFMX-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Names & identifiers
- Preferred name
- Methanediol, 1-(2-furanyl)-, 1,1-diacetate
- IUPAC
- [acetyloxy(furan-2-yl)methyl] acetate
- English name
- (Acetyloxy)(2-furyl)methyl acetate
- Molecular formula
- C9H10O5
- Molecular weight
- 198.17
Names & synonyms
613-75-2Methanediol, 2-furanyl-, diacetateFurfurylidene diacetateMethanediol, 1-(2-furanyl)-, 1,1-diacetateEINECS 210-352-9AI3-11569DTXSID80879478RefChem:156913DTXCID301017489(acetyloxy)(2-furyl)methyl acetate(acetyloxy)(furan-2-yl)methyl acetate2-(Diacetoxymethyl)furan
Show more names
furfurylidenedi(acetate)Furfural diacetyl acetal2-FurylmethylenediacetateFURAN-2-METHANEDIOL DIACETATE2-furanyl-methanediodiacetate2-Furanyl-methanedioldiacetate
Furfurylidene di(acetate)[acetyloxy(furan-2-yl)methyl] acetate[acetoxy(2-furyl)methyl] acetate2-furanmethanediol diacetateMFCD00220943Furan-2-ylmethylene diacetateFurfural diacetate(2-Furanyl)methanediol diacetate
Database identifiers
- CAS
613-75-2- PubChem CID
- 69181
- DTXSID
DTXSID80879478- UNII
- Q785YW5DRD
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 53.3 °C · 53.3°C
- Boiling point
- 295.48 °C · 295.48°C (rough estimate)
- Density
- 1.318 · 1.3180 (rough estimate)
- refractive index
- 1.4717 · 1.4717 (estimate)
- LogP
- 1.149 · 1.149 (est)
- FDA UNII
- 785 YW5DRD · Q785YW5DRD
- EPA Substance Registry System
- 2 · Methanediol, 2-furanyl-, diacetate (613-75-2)
- TSCA
- TSCA listed
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2932190090
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanediol, 1-(2-furanyl)-, 1,1-diacetate: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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