1,2,5-Hexanetriol
Basic information
- CAS
10299-30-6- Standard SMILES
CC(O)CCC(O)CO- InChIKey
UFAPLAOEQMMKJA-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.0942943
Names & identifiers
- Preferred name
- 1,2,5-Hexanetriol
- IUPAC
- hexane-1,2,5-triol
Names & synonyms
Hexane-1,2,5-triol1,2,5-Hexanetriol10299-30-6540DB44OXQDTXSID70431423RefChem:411034DTXCID80382255695-737-3UNII-540DB44OXQ1,2,5-trihydroxyhexaneSCHEMBL148951SCHEMBL5730594
Show more names
SCHEMBL6433484SCHEMBL6437794SCHEMBL7804056SCHEMBL7860724SCHEMBL9117457AKOS021163460
Database identifiers
- CAS
10299-30-6- PubChem CID
- 9833971
- DTXSID
DTXSID70431423- EC Number
- 695-737-3
- Nikkaji
- J803.525C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65.3
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
This chemical does not meet GHS hazard criteria for 75% (6 of 8) of all reports.
Warning
H315 (25%): 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)
Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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