Basic information
- CAS
15833-80-4- Standard SMILES
CC(C)(CO)C(O)CO- InChIKey
SJTKQIPAACOOGS-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.09429431
Names & identifiers
- Preferred name
- 3,3-Dimethylbutane-1,2,4-triol
- IUPAC
- 3,3-dimethylbutane-1,2,4-triol
- English name
- 3,3-dimethylbutane-1,2,4-triol
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
3,3-Dimethylbutane-1,2,4-triol15833-80-43,3-Dimethyl-1,2,4-butanetriolEINECS 239-936-1DTXSID00935904RefChem:485554DTXCID901364523239-936-11,2,4-Butanetriol, 3,3-dimethyl-starbld0030111SCHEMBL1967660SJTKQIPAACOOGS-UHFFFAOYSA-N
Show more names
QAA83380AT14494DB-150995NS00054051EN300-1845479
Database identifiers
- CAS
15833-80-4- PubChem CID
- 85914
- DTXSID
DTXSID00935904- EC Number
- 239-936-1
- Nikkaji
- J219.846K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.4
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 130 °C · 130 °C(Press: 0.1 Torr)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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