Basic information
- CAS
31468-33-4- Standard SMILES
CC1CCC(=O)OC1=O- InChIKey
YQLVIOYSGHEJDA-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- dihydro-3-methyl-2H-pyran-2,6(3H)-dione
- IUPAC
- 3-methyloxane-2,6-dione
- English name
- dihydro-3-methyl-2H-pyran-2,6(3H)-dione
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
31468-33-4EINECS 250-645-9Dihydro-3-methyl-2H-pyran-2,6(3H)-dioneRefChem:133698250-645-93-methyloxane-2,6-dione3-methyldihydro-2H-pyran-2,6(3H)-dione2H-Pyran-2,6(3H)-dione, dihydromethyl-2-methylglutaric anhydride36483-51-93-methyltetrahydropyran-2,6-dioneSCHEMBL138698
Show more names
2H-Pyran-2,6(3H)-dione, dihydro-3-methyl-
SCHEMBL5964893DTXSID30953474MFCD09834471AKOS006327070SY413787CS-0058228NS00051375EN300-5199451
Database identifiers
- CAS
31468-33-4- PubChem CID
- 3015571
- DTXSID
DTXSID30953474- EC Number
- 250-645-9
- Nikkaji
- J96.537E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海拓朴医药科技有限公司+86 (21) 5196-9732
Related reactions
2 records
Compound notes
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