4-(4-Isopropylphenyl)butanoic acid
Basic information
- CAS
7501-37-3- Standard SMILES
CC(C)c1ccc(CCCC(=O)O)cc1- InChIKey
COMUZXZDTNYSJE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 4-(4-Isopropylphenyl)butanoic acid
- IUPAC
- 4-(4-propan-2-ylphenyl)butanoic acid
Names & synonyms
4-(4-ISOPROPYLPHENYL)BUTANOIC ACID7501-37-34-[4-(propan-2-yl)phenyl]butanoic acidMFCD014620824-(4-propan-2-ylphenyl)butanoic acidNSC406465SCHEMBL765932DTXSID503243494-(p-isopropylphenyl)-butanoic acidAKOS000345142NSC-4064654-[4-(methylethyl)phenyl]butanoic acid
Show more names
4-(4-ISOPROPYLPHENYL)BUTANOICACIDBS-36963DB-205087ST50976747EN300-1264772F308234F9994-6550
Database identifiers
- CAS
7501-37-3- PubChem CID
- 347674
- DTXSID
DTXSID50324349- EC Number
- 810-621-6
- Nikkaji
- J1.254.294A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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Related reactions
3 records
Compound notes
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