5-(4-Methoxyphenyl)pentanoic acid
Basic information
- CAS
7508-04-5- Standard SMILES
COc1ccc(CCCCC(=O)O)cc1- InChIKey
BGPOHJSGSYVQSU-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)pentanoic acid
- IUPAC
- 5-(4-methoxyphenyl)pentanoic acid
- English name
- 5-(4-methoxyphenyl)pentanoic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
5-(4-methoxyphenyl)pentanoic acid7508-04-5DTXSID10322523RefChem:1072472DTXCID10273642MFCD00021791NSC401464SCHEMBL11719675-(4-methoxyphenyl)pentanoicacidBGPOHJSGSYVQSU-UHFFFAOYSA-NLH00765-(4-methoxy-phenyl)-pentanoic acid
Show more names
Benzenepentanoic acid, 4-methoxy-
AKOS009242757NSC-401464NS-02297SY174688DB-332661EN300-54340F77020AS-871/43475607
Database identifiers
- CAS
7508-04-5- PubChem CID
- 344501
- DTXSID
DTXSID10322523- EC Number
- 185-659-3
- Nikkaji
- J1.081.230E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 114 · 114-114.5 °C
- Boiling point
- 371.5 · 371.5±25.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.75 · 4.75±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
2 records
Compound notes
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