4-Nonylbenzoic acid
Basic information
- CAS
38289-46-2- Standard SMILES
CCCCCCCCCc1ccc(C(=O)O)cc1- InChIKey
FLRVNGMVEBEPQG-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 4-Nonylbenzoic acid
- IUPAC
- 4-nonylbenzoic acid
- English name
- 4-n-Nonylbenzoic acid
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
4-nonylbenzoic acid38289-46-2BENZOIC ACID, p-NONYL-DTXSID00191664RefChem:1071319DTXCID401141554-n-Nonylbenzoic acidMFCD00627643Benzoic acid, 4-nonyl-4-Nonylbenzoicacidp-Nonylbenzoic acidBRN 2722200
Show more names
4-Nonylbenzoicacip-nonyl-benzoicaciP-(N-NONYL)BENZOIC ACID
4-nonylbenzenecarboxylic acid3-09-00-02623 (Beilstein Handbook Reference)SCHEMBL270423FLRVNGMVEBEPQG-UHFFFAOYSA-NSBB059279STK035991AKOS000565201NCGC00335602-01
Database identifiers
- CAS
38289-46-2- PubChem CID
- 38002
- DTXSID
DTXSID00191664- Nikkaji
- J25.837G
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Melting point
- 96 · 96-97℃
- Boiling point
- 374.3 · 374.3±21.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.35 · 4.35±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P302+P352-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Nonylbenzoic Acid can be used as a bleaching detergent with good perfume fragrance retention.
Related reactions
1 records
Compound notes
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