Basic information
- CAS
5703-44-6- Standard SMILES
O=C(O)C1COCOC1- InChIKey
ZQZLGXFRUOJTCE-UHFFFAOYSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225873
Names & identifiers
- Preferred name
- 1,3-dioxane-5-carboxylic Acid
- IUPAC
- 1,3-dioxane-5-carboxylic acid
- English name
- 1,3-Dioxane-5-carboxylic acid
- Molecular formula
- C5H8O4
- Molecular weight
- 132.11
Names & synonyms
1,3-dioxane-5-carboxylic Acid5703-44-6DTXSID20404748RefChem:218856DTXCID40355602889-973-81,3-dioxane-5-carboxylicAcidSCHEMBL1813417ZQZLGXFRUOJTCE-UHFFFAOYSA-NAKOS006380561DB-087402ST50993038
Show more names
EN300-134573
Database identifiers
- CAS
5703-44-6- PubChem CID
- 4601042
- DTXSID
DTXSID20404748- EC Number
- 889-973-8
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 278.3 · 278.3±35.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 3.88 · 3.88±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers4 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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