Basic information
- CAS
3085-35-6- Standard SMILES
CCCCOCO- InChIKey
CRHLZRRTZDFDAJ-UHFFFAOYSA-N- Molecular formula
- C5H12O2
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.08372962
Names & identifiers
- Preferred name
- 1-Butoxy methanol
- IUPAC
- butoxymethanol
- English name
- butoxymethanol
- Molecular formula
- C5H12O2
- Molecular weight
- 104.15
Names & synonyms
Methanol, 1-butoxy-Methanol, butoxy-3085-35-61-Butoxy methanolBUTYL HEMIFORMALFORMIT BFORMIT NBEINECS 221-395-8JR1C033485BUTYL ALCOHOL HEMIFORMALDTXSID6029252RefChem:430950
Show more names
DTXCID609252ButoxymethanolUNII-JR1C033485SCHEMBL78130SCHEMBL380036SCHEMBL2802890SCHEMBL3517705SCHEMBL5929270
Database identifiers
- CAS
3085-35-6- PubChem CID
- 76516
- DTXSID
DTXSID6029252- UNII
- JR1C033485
- EC Number
- 221-395-8
- Nikkaji
- J217.248H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 29.3
Physicochemical properties
- Boiling point
- 140.2 · 140.2±8.0 °C(Predicted)
- Density
- 0.906 · 0.906±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.10(Predicted)
- FDA UNII
- 1 C033485 · JR1C033485
- EPA Substance Registry System
- Butoxymethanol (3085-35-6)
- RIDADR
- 1993 · 1993
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Methanol, butoxy-
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hazard_class
- 3.2
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanol, 1-butoxy-: ACTIVE
Suppliers3 total
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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