Basic information
- CAS
2163-12-4- Standard SMILES
CC(=O)c1ccc(O)c(C(C)=O)c1O- InChIKey
AONRSNZGOMBWPX-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 2,4-Diacetyl-1,3-benzenediol
- IUPAC
- 1-(3-acetyl-2,4-dihydroxyphenyl)ethanone
- English name
- 2,4-Diacetylresorcinol
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
2163-12-42,4-Diacetyl-1,3-benzenediolDTXSID00176017RefChem:246077DTXCID00985082,4-DIACETYLRESORCINOL1,1'-(2,4-Dihydroxy-1,3-phenylene)bis(ethan-1-one)2,6-Diacetylresorcinol1-(3-acetyl-2,4-dihydroxyphenyl)ethanone2,4-diacetyl resorcinolMFCD247134141,1'-(2,4-dihydroxy-1,3-phenylene)diethanone
Show more names
1-(3-acetyl-2,6-dihydroxyphenyl)ethan-1-oneEthanone, 1,1'-(2,4-dihydroxy-1,3-phenylene)bis-1,1'-(2,4-Dihydroxy-1,3-phenylene)di(ethan-1-one)SCHEMBL9312650AKOS022192355BS-44991SY2876381-(3-acetyl-2,4-dihydroxy-phenyl)ethanone
Database identifiers
- CAS
2163-12-4- PubChem CID
- 137461
- DTXSID
DTXSID00176017- Nikkaji
- J80.416I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 170 · 170-172 °C(Press: 26 Torr)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Preparation methods
PreparationObtained from resorcinol by a typical Friedel– Crafts reaction (40%) , with acetic acid in the presence of boron trifluoride, – at 140° for 3 h in a sealed tube (30%) ; – at 125° for 6 h (20%) ; with acetic anhydride, – in the presence of concentrated sulfuric acid at 130° for 15 min (15%) ; – in the presence of zinc chloride at 145–150° (7%) or at 150–160° for 20 min (6%) ; with acetyl chloride, – by heating in the presence of concentrated sulfuric acid (10%) ; – in ethyl ether in the presence of aluminium chloride at r.t. for 3 days (7%).
Upstream & downstream products
Downstream products
Suppliers12 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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