6-Phenylhexanoic acid
6-Phenylhexanoic acid structure
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Common Name | 6-Phenylhexanoic acid | ||
|---|---|---|---|---|
| CAS Number | 5581-75-9 | Molecular Weight | 192.254 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 319.2±0.0 °C at 760 mmHg | |
| Molecular Formula | C12H16O2 | Melting Point | 17-19°C | |
| MSDS | Chinese USA | Flash Point | 240.2±17.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 6-Phenylhexanoic acid, also known as 6-苯己酸, has a CAS number of 5581-75-9. Its molecular formula is C12H16O2, with a molecular weight of 192.254. It appears as a colorless to light yellow clear liquid, with a melting point of 17-19°C and a boiling point of 319.2°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-phenylhexanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 319.2±0.0 °C at 760 mmHg |
| Melting Point | 17-19°C |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.254 |
| Flash Point | 240.2±17.2 °C |
| Exact Mass | 192.115036 |
| PSA | 37.30000 |
| LogP | 3.23 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.523 |
| InChIKey | JTXZPQIXIXYMDY-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCCCc1ccccc1 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38:Irritating to eyes, respiratory system and skin . |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Naphthenic acids and surrogate naphthenic acids in methanogenic microcosms.
Water Res. 35(11) , 2595-606, (2001) Naphthenic acids (NAs) are a complex mixture of naturally occurring acyclic and cyclic aliphatic carboxylic acids in petroleum. In the Athabasca oil sands. NAs have been identified as the largest comp... |
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Effects of chromophore orientation and molecule conformation on surface-enhanced Raman scattering studied with alkanoic acids and colloidal silver nanoparticles.
J. Chem. Phys. 125(23) , 234706, (2006) Experimental studies have been carried out to gain a better understanding of the effects of chromophore orientation and molecular conformation on surface-enhanced Raman scattering (SERS) based on meta... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Phenylhexanoic acid |
| Benzenehexanoic acid |
| MFCD00014381 |
| 6-Phenylcaproic acid |
| 6-phenyl-n-hexanoic acid |
| 6-phenyl-n-caproic acid |
| phenyl hexanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 6-phenylhexanoic acid? |
| A: CAS number of 6-phenylhexanoic acid is 5581-75-9. |
| Q: What is the boiling point of 6-phenylhexanoic acid? |
| A: Boiling point of 6-phenylhexanoic acid is 319.2±0.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 6-phenylhexanoic acid? |
| A: InChIKey of 6-phenylhexanoic acid is JTXZPQIXIXYMDY-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 6-phenylhexanoic acid? |
| A: SMILES notation of 6-phenylhexanoic acid is O=C(O)CCCCCc1ccccc1. |
| Q: What is the molecular formula of 6-phenylhexanoic acid? |
| A: Molecular formula of 6-phenylhexanoic acid is C12H16O2. |
| Q: What is the polar surface area (PSA) of 6-phenylhexanoic acid? |
| A: Polar surface area (PSA) of 6-phenylhexanoic acid is 37.30000. |
| Q: What English synonyms does 6-phenylhexanoic acid have? |
| A: English synonyms of 6-phenylhexanoic acid: 6-Phenylhexanoic acid, Benzenehexanoic acid, MFCD00014381, 6-Phenylcaproic acid, 6-phenyl-n-hexanoic acid, 6-phenyl-n-caproic acid, phenyl hexanoic acid. |
| Q: What is the melting point of 6-phenylhexanoic acid? |
| A: Melting point of 6-phenylhexanoic acid is 17-19°C. |
| Q: What is the molecular weight of 6-phenylhexanoic acid? |
| A: Molecular weight of 6-phenylhexanoic acid is 192.254. |
| Q: What are the storage conditions for 6-phenylhexanoic acid? |
| A: Storage conditions for 6-phenylhexanoic acid: 2-8°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |