Basic information
- CAS
23068-87-3- Standard SMILES
COC(CCCO)OC- InChIKey
DDPMQWOBGOWNKA-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.09429431
Names & identifiers
- Preferred name
- 4,4-Dimethoxybutan-1-ol
- IUPAC
- 4,4-dimethoxybutan-1-ol
- English name
- 4,4-dimethoxybutan-1-ol
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
4,4-Dimethoxybutan-1-ol23068-87-3EINECS 245-409-7DTXSID10177636RefChem:507356DTXCID70100127245-409-71-Butanol, 4,4-dimethoxy-4,4-dimethoxybutanolS8J6K5K78DSCHEMBL1958926SCHEMBL7630358
Show more names
4,4-Dimethoxy-1-butanol
YAA06887AKOS006312239NS00027341EN300-1737944
Database identifiers
- CAS
23068-87-3- PubChem CID
- 89988
- DTXSID
DTXSID10177636- UNII
- S8J6K5K78D
- EC Number
- 245-409-7
- Nikkaji
- J318.394G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.3
Physicochemical properties
- Boiling point
- 180.9 · 180.9±30.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H227-H315-H335
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H227-H315-H335
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4,4-Dimethoxybutan-1-ol is a reactant used in the preparation of tetrahydropyranols and hydropyranooxepans.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
Related reactions
2 records
Compound notes
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