Basic information
- CAS
29848-46-2- Standard SMILES
CC1(C)CC(O)CO1- InChIKey
MPEYEQCMWJLKJQ-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 5,5-Dimethyloxolan-3-ol
- IUPAC
- 5,5-dimethyloxolan-3-ol
- English name
- 5,5-dimethyltetrahydrofuran-3-ol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
5,5-dimethyloxolan-3-olDTXSID90952307RefChem:527798DTXCID901380404893-615-65,5-dimethyltetrahydrofuran-3-ol29848-46-23-FURANOL, TETRAHYDRO-5,5-DIMETHYL-MFCD01726014Tetrahydro-5,5-dimethyl-3-furanolOKK0O3OM3WBRN 0102844
Show more names
5,5-Dimethyltetrahydro-3-furanolUNII-OKK0O3OM3W4-17-00-01140 (Beilstein Handbook Reference)SCHEMBL18988485ALBB-030531AKOS027470359BS-27929SY463871
Database identifiers
- CAS
29848-46-2- PubChem CID
- 34744
- DTXSID
DTXSID90952307- UNII
- OKK0O3OM3W
- EC Number
- 893-615-6
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Physicochemical properties
- Boiling point
- 84 °C · 84 °C(Press: 15 Torr)
- Density
- 0.992 g/cm3 · 0.992 g/cm3(Temp: 22 °C)
- pka
- 14.52 · 14.52±0.40(Predicted)
- FDA UNII
- 0 O3OM3W · OKK0O3OM3W
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers7 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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