Phenyl benzoate
Phenyl benzoate structure
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Common Name | Phenyl benzoate | ||
|---|---|---|---|---|
| CAS Number | 93-99-2 | Molecular Weight | 198.217 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 314.0±11.0 °C at 760 mmHg | |
| Molecular Formula | C13H10O2 | Melting Point | 68-70 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 128.9±16.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Phenyl benzoatePhenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid. Phenyl benzoate is a chloride transport blocker, inhibits Cl--dependent Glu accumulation into vesicles. Phenyl benzoate can be used as preservative in cosmetic products[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | phenyl benzoate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Phenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid. Phenyl benzoate is a chloride transport blocker, inhibits Cl--dependent Glu accumulation into vesicles. Phenyl benzoate can be used as preservative in cosmetic products[1][2]. |
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| Related Catalog | |
| In Vitro | Phenyl benzoate (DPC) (0.1 μM-1 mM; 15 min) inhibits the Ca2+/Cl--dependent and -independent L-[3H]Glu (100 nM) binding to rat brain membranes[1]. |
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 | 314.0±11.0 °C at 760 mmHg |
| Melting Point | 68-70 °C(lit.) |
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.217 |
| Flash Point | 128.9±16.7 °C |
| Exact Mass | 198.068085 |
| PSA | 26.30000 |
| LogP | 3.59 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.585 |
| InChIKey | FCJSHPDYVMKCHI-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccccc1)c1ccccc1 |
| Stability | Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DH6299500 |
| HS Code | 2916310090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916310090 |
|---|---|
| Summary | 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。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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Pressurized liquid extraction-gas chromatography-mass spectrometry for confirming the photo-induced generation of dioxin-like derivatives and other cosmetic preservative photoproducts on artificial skin.
J. Chromatogr. A. 1440 , 37-44, (2016) The stability and photochemical transformations of cosmetic preservatives in topical applications exposed to UV-light is a serious but poorly understood problem. In this study, a high throughput extra... |
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Discrimination of skin sensitizers from non-sensitizers by interleukin-1α and interleukin-6 production on cultured human keratinocytes.
J. Appl. Toxicol. 36 , 1129-36, (2016) In vitro testing methods for classifying sensitizers could be valuable alternatives to in vivo sensitization testing using animal models, such as the murine local lymph node assay (LLNA) and the guine... |
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Chloride current activated by cyclic AMP and parathyroid hormone in rat osteoblasts.
Pflugers Arch. 415(1) , 104-14, (1989) In primary cultures of rat osteoblasts, studied with the whole-cell configuration of the patch-clamp technique, 8-bromo-cyclic AMP (8BrcAMP) forskolin (FS) and 1-34 parathyroid hormone (PTH) were show... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Diphenylcarboxylate |
| Phenyl benzoate |
| Phenol,benzoate |
| MFCD00003072 |
| Phenol, benzoate (7CI) |
| EINECS 202-293-2 |
| benzenecarboxylic acid phenyl ester |
| Benzoic acid phenyl ester |
| Benzoic acid,phenyl ester |
| UNII-B8A3WVZ590 |
| Benzoic acid, phenyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of phenyl benzoate? |
| A: Melting point of phenyl benzoate is 68-70 °C(lit.). |
| Q: What is the safety information for phenyl benzoate? |
| A: Safety information for phenyl benzoate: S22-S24/25. |
| Q: What are the uses of phenyl benzoate? |
| A: Main uses of phenyl benzoate: Phenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid. Phenyl benzoate is a chloride transport blocker, inhibits Cl--dependent Glu accumulation into vesicles. Phenyl benzoate can be used as preservative in cosmetic products[1][2]. |
| Q: What is the LogP of phenyl benzoate? |
| A: LogP of phenyl benzoate is 3.59. |
| Q: What is the SMILES notation of phenyl benzoate? |
| A: SMILES notation of phenyl benzoate is O=C(Oc1ccccc1)c1ccccc1. |
| Q: What is the English name of phenyl benzoate? |
| A: The English name of phenyl benzoate is phenyl benzoate. |
| Q: What English synonyms does phenyl benzoate have? |
| A: English synonyms of phenyl benzoate: Diphenylcarboxylate, Phenyl benzoate, Phenol,benzoate, MFCD00003072, Phenol, benzoate (7CI), EINECS 202-293-2, benzenecarboxylic acid phenyl ester, Benzoic acid phenyl ester, Benzoic acid,phenyl ester, UNII-B8A3WVZ590, Benzoic acid, phenyl ester. |
| Q: What is the molecular weight of phenyl benzoate? |
| A: Molecular weight of phenyl benzoate is 198.217. |
| Q: What is the molecular formula of phenyl benzoate? |
| A: Molecular formula of phenyl benzoate is C13H10O2. |
| Q: What is the CAS number of phenyl benzoate? |
| A: CAS number of phenyl benzoate is 93-99-2. |
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. |