3,4-Dihydro-2H-pyran-5-carboxylic acid
Basic information
- CAS
40915-37-5- Standard SMILES
O=C(O)C1=COCCC1- InChIKey
MIBCYYGVLHFYSD-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 3,4-Dihydro-2H-pyran-5-carboxylic acid
- IUPAC
- 3,4-dihydro-2H-pyran-5-carboxylic acid
- English name
- 3,4-dihydro-2H-pyran-5-carboxylic acid
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
3,4-dihydro-2H-pyran-5-carboxylic acid40915-37-5DTXSID60547209RefChem:91086DTXCID20497993688-454-1MFCD06203171SCHEMBL484079MIBCYYGVLHFYSD-UHFFFAOYSA-NAKOS006237173CS-W001843SB40452
Show more names
RARECHEM AL BE 03342,3-Dihydro-pyran-5-Carbocylic acid2H-Pyran-5-carboxylic acid, 3,4-dihydro-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLICACID 5G
SS-46303,4-dihydro-2H-pyran-5-carboxylicacidSY0278952,3-dihydro-(4H)-pyran-5-carboxylic acidDB-070108EN300-65254F468741Z1013753084
Database identifiers
- CAS
40915-37-5- PubChem CID
- 13705403
- DTXSID
DTXSID60547209- EC Number
- 688-454-1
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 72 · 72-74 °C
- Boiling point
- 235.9 · 235.9±29.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 5.07 · 5.07±0.20(Predicted)
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- HS Code
- 2932990090 · 2932990090
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 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (80%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Related reactions
2 records
Compound notes
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