Basic information
- CAS
1745-87-5- Standard SMILES
CCCC1OCCC(C)O1- InChIKey
AHJYOYDRGYJRDR-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4-methyl-2-propyl-
- IUPAC
- 4-methyl-2-propyl-1,3-dioxane
- English name
- 4-methyl-2-propyl-1,3-dioxane
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
4-Methyl-2-propyl-1,3-dioxane1,3-Dioxane, 4-methyl-2-propyl-m-Dioxane, 4-methyl-2-propyl-2-Propyl-4-methyl-1,3-dioxaneButyraldehyde-1,3-butylene glycol acetalButyraldehyde, 1,3-butylene glycol acetalNSC 6986EINECS 217-120-6AI3-22817DTXSID80862744RefChem:72781DTXCID10811467
Show more names
217-120-61745-87-51, 4-methyl-2-propyl-orb1986804SCHEMBL1108326NSC6986AHJYOYDRGYJRDR-UHFFFAOYSA-NNSC-6986
Database identifiers
- CAS
1745-87-5- PubChem CID
- 95403
- DTXSID
DTXSID80862744- EC Number
- 217-120-6
- Nikkaji
- J203.155H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.3
Physicochemical properties
- Boiling point
- 161 °C · 161 °C
- Density
- 0.886 · 0.886±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4-methyl-2-propyl- (1745-87-5)
- 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
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 Information1,3-Dioxane, 4-methyl-2-propyl-: Does not have an individual approval but may be used under an appropriate group standard
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 Information1,3-Dioxane, 4-methyl-2-propyl-: INACTIVE
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…