Basic information
- CAS
54459-71-1- Standard SMILES
CCCCCCOCCCC- InChIKey
QCYFOZWGXKXDJA-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- Butyl hexyl ether
- IUPAC
- 1-butoxyhexane
- English name
- 1-butoxyhexane
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
1-ButoxyhexaneHexane, 1-butoxy-butyl hexyl ether1-butoxy-hexaneKQ3EHL2XVNEINECS 259-172-2DTXSID9068958RefChem:122258DTXCID5041726QCYFOZWGXKXDJA-UHFFFAOYSA-N54459-71-15-oxahendecan
Show more names
UNII-KQ3EHL2XVNSCHEMBL127317SCHEMBL127318SCHEMBL130731SCHEMBL352238SCHEMBL352239SCHEMBL3463667SCHEMBL5224444
Database identifiers
- CAS
54459-71-1- PubChem CID
- 108598
- DTXSID
DTXSID9068958- UNII
- KQ3EHL2XVN
- EC Number
- 259-172-2
- Nikkaji
- J266.892K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 61.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 84 · 84-93 °C(Press: 16 Torr)
- Density
- 0.7874 g/cm3 · 0.7874 g/cm3
- FDA UNII
- 3 EHL2XVN · KQ3EHL2XVN
- EPA Substance Registry System
- 1 · Hexane, 1-butoxy- (54459-71-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: Hexane, 1-butoxy-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 1-butoxy-: ACTIVE
Suppliers3 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
2 records
Compound notes
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