Basic information
- CAS
767-04-4- Standard SMILES
CC(=O)CC1OCCO1- InChIKey
FXHIOQYSZLPDAR-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 1-(1,3-Dioxolan-2-yl)acetone
- IUPAC
- 1-(1,3-dioxolan-2-yl)propan-2-one
- English name
- 1-(1,3-dioxolan-2-yl)acetone
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
1-(1,3-Dioxolan-2-yl)acetoneEINECS 212-176-8HSY645TSX41-(1,3-Dioxolan-2-yl)-2-propanone2-Propanone, 1-(1,3-dioxolan-2-yl)-DTXSID00227492RefChem:73877DTXCID00149983212-176-81-(1,3-dioxolan-2-yl)propan-2-one767-04-4UNII-HSY645TSX4
Show more names
SCHEMBL49892481-(1,3-Dioxolan-2-yl)acetone #AKOS022189178NS00037834
Database identifiers
- CAS
767-04-4- PubChem CID
- 69841
- DTXSID
DTXSID00227492- UNII
- HSY645TSX4
- EC Number
- 212-176-8
- Nikkaji
- J193.142C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesAcentric factor
Physicochemical properties
- Boiling point
- 74 · 74-76 °C(Press: 4 Torr)
- Density
- 1.1084 g/cm3 · 1.1084 g/cm3
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 645 TSX4 · HSY645TSX4
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers5 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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