Basic information
- CAS
3461-31-2- Standard SMILES
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC- InChIKey
VDNXOMXXJXUGHQ-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- Butyl nonyl phthalate
- IUPAC
- 1-O-butyl 2-O-nonyl benzene-1,2-dicarboxylate
- English name
- butyl nonyl phthalate
- Molecular formula
- C21H32O4
- Molecular weight
- 348.48
Names & synonyms
Butyl nonyl phthalate3461-31-21-O-butyl 2-O-nonyl benzene-1,2-dicarboxylatePhthalic acid, butyl nonyl esterEINECS 222-412-1SCHEMBL6400881DTXSID70188182Butyl nonyl benzene-1,2-dicarboxylateNS00029697n-Butyl-n-nonyl phthalate1,2-Benzenedicarboxylic acid 1-butyl 2-nonyl ester
Database identifiers
- CAS
3461-31-2- PubChem CID
- 77007
- DTXSID
DTXSID70188182- EC Number
- 222-412-1
- Nikkaji
- J216.134F
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 180 °C · 180 °C(Press: 1.5 Torr)
- Density
- 0.97 g/cm³ · 0.970 g/cm³(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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