3-(Butoxymethyl)heptane
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Basic information
- CAS
62625-25-6- Standard SMILES
CCCCOCC(CC)CCCC- InChIKey
XIUZCZSOJYCCTG-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- 3-(Butoxymethyl)heptane
- IUPAC
- 3-(butoxymethyl)heptane
- English name
- BUTYL ETHYL HEXYL ETHER
- Molecular formula
- C12H26O
- Molecular weight
- 186.33
Names & synonyms
3-(Butoxymethyl)heptane62625-25-61-Butoxy-2-ethylhexaneHeptane, 3-(butoxymethyl)-Ether, butyl 2-ethylhexylButyl 2-ethylhexyl ether3-(Butoxymethyl)heptane #SCHEMBL2241603SCHEMBL3412198SCHEMBL5174231SCHEMBL5948463DTXSID60334838
Show more names
BUTYL ETHYL HEXYL ETHER
XIUZCZSOJYCCTG-UHFFFAOYSA-NMFCD01940490
Database identifiers
- CAS
62625-25-6- PubChem CID
- 522064
- DTXSID
DTXSID60334838- Nikkaji
- J33.504E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 18 Torr)
- Density
- 0.798 · 0.798±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-(Butoxymethyl)heptane is used in analytical methods for screening potential volatile migrants from acrylic-base adhesives used in food-contact materials.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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