Pentane-2,3,4-triol
Basic information
- CAS
14642-48-9- Standard SMILES
CC(O)C(O)C(C)O- InChIKey
JJAIIULJXXEFLV-UHFFFAOYSA-N- Molecular formula
- C5H12O3
- Average molar mass
- 120.15 g/mol
- Monoisotopic mass
- 120.07864424
Names & identifiers
- Preferred name
- Pentane-2,3,4-triol
- IUPAC
- pentane-2,3,4-triol
- English name
- 2,3,4-Pentanetriol
- Molecular formula
- C5H12O3
- Molecular weight
- 120.15
Names & synonyms
pentane-2,3,4-triolRefChem:859902958-270-92,3,4-Pentanetriol14642-48-9Pentitol, 1,5-dideoxy-1,5-Dideoxypentitol2,3,4-pentantriolSCHEMBL284608SCHEMBL619871SCHEMBL2372944SCHEMBL2926107
Show more names
Pentane-2,3,4-triol (or) Ribitol
SCHEMBL6438396DTXSID80932835AKOS034185846EN300-1721558Z1896181589
Database identifiers
- CAS
14642-48-9- PubChem CID
- 139799
- DTXSID
DTXSID80932835- EC Number
- 958-270-9
- Nikkaji
- J95.394F
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 56.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 164.15 °C · 164.15°C (rough estimate)
- Density
- 1.0456 · 1.0456 (rough estimate)
- refractive index
- 1.4056 · 1.4056 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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