HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3086355Generated: October 30, 2026
4-(4-Heptylphenyl)benzoic Acid
RARECHEM AL BO 0681 · p-Heptylbibenzoic acid · 4-HEPTYL-4'-CARBOXYBIPHENYL · 4-Carboxy-4''-heptylbiphenyl · 4-(4-Heptylphenyl)benzoic Acid · 4-(4-Heptylphenyl)benzoicAcid>4-(4'-n-Heptylphenyl)benzoic acid · 4-HEPTYL-4'-BIPHENYLCARBOXYLIC ACID · 4-Heptylbiphenyl-4'-carboxylic Acid
https://huagongshe.com/en/chemical/3086355
Identifiers & Physical Properties
| CAS No. | 58573-94-7 |
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| Molecular formula | C20H24O2 |
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| Average molar mass | 296.4 g/mol |
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| Monoisotopic mass | 296.17763001 g/mol |
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| SMILES | CCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1 |
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| InChIKey | XVROSBHWACAQRL-UHFFFAOYSA-N |
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| PubChem CID | 3086355 |
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| ChEMBL | CHEMBL371684 |
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| EC No. | 679-939-9 |
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| DTXSID | DTXSID60974132 |
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Chemical & Physical Properties
| XLogP | 7.2 |
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| Topological polar surface area | 37.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 310 |
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| Boiling point | 449.9±34.0 °C(Predicted) |
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| Density | 1.048±0.06 g/cm3(Predicted) |
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| Solubility | almost transparency in hot EtOH |
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| Physical state | powder to crystal |
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| pKa (acidity coefficient) | 4.23±0.10(Predicted) |
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| Color | White to Almost white |
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| InChI | InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22) |
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| InChIKey | XVROSBHWACAQRL-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C(O)=O)C=C1 |
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| CAS DataBase Reference | 58573-94-7(CAS DataBase Reference) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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| Customs code | 2916.31.5000 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Customs code | 2916.31.5000 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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