Diethyl phthalate structure
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Common Name | Diethyl phthalate | ||
|---|---|---|---|---|
| CAS Number | 84-66-2 | Molecular Weight | 222.237 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 294.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C12H14O4 | Melting Point | −3 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 160.0±0.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | diethyl phthalate |
|---|---|
| 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 | 294.0±0.0 °C at 760 mmHg |
| Melting Point | −3 °C(lit.) |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.237 |
| Flash Point | 160.0±0.0 °C |
| Exact Mass | 222.089203 |
| PSA | 52.60000 |
| LogP | 2.70 |
| Vapour density | 7.66 (vs air) |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.508 |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, alkalies. |
| Water Solubility | 1 g/L (20 ºC) |
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
MUTATION DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
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| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917349000 |
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| Summary | 2917349000 other esters of orthophthalic acid。Supervision conditions:None。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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The lyon clinical olfactory test: validation and measurement of hyposmia and anosmia in healthy and diseased populations.
Int. J. Otolaryngol. 2011 , 203805, (2011) The LCOT is a self-administered test designed to assess olfactory deficits. Altogether, 525 subjects contributed to the validation. Elderly participants were well represented in this sample. In a vali... |
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Environmental occurrence and biota concentration of phthalate esters in Epe and Lagos Lagoons, Nigeria.
Mar. Environ. Res. 108 , 24-32, (2015) The high global occurrence of phthalates in different environmental matrixes has resulted in the detection of their metabolites in human urine, blood, and breast milk, indicating a widespread human ex... |
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Development of dispersive liquid-liquid microextraction technique using ternary solvents mixture followed by heating for the rapid and sensitive analysis of phthalate esters and di(2-ethylhexyl) adipate.
J. Chromatogr. A. 1379 , 24-33, (2015) In this study, for the first time, a dispersive liquid-liquid microextraction technique using a ternary solvent mixture is reported. In order to extract five phthalate esters and di(2-ethylhexyl) adip... |
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: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzene-1,2-dicarboxylic acid diethyl ester |
| diethyl o-phthalate |
| 1,2-Benzenedicarboxylic acid, diethyl ester |
| phthalic acid di-n-ethyl ester |
| EINECS 201-550-6 |
| Benzenedicarboxylic acid, diethyl ester |
| unimollda |
| Amozol |
| Neantine |
| ethyl phthalate |
| estol1550 |
| 1,2-BENZENEDICARBOXYLIC ACID DIETHYL ESTER |
| diethyl benzene-1,2-dicarboxylate |
| Diethyl ester of phthalic acid |
| diethyl benzenedicarboxylate |
| diethyl ortho-phthalate |
| phthalic acid diethyl ester |
| Anozol |
| MFCD00009111 |
| Solvanol |
| placidole |
| Diethyl phthalate |
| PHTHALOL |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of diethyl phthalate? |
| A: Related downstream products(CAS) of diethyl phthalate: 606-23-5;31519-22-9;93-89-0;14570-43-5;38228-99-8;62351-79-5;2050-19-3;22135-01-9;21889-13-4;95-47-6. |
| Q: What is the LogP of diethyl phthalate? |
| A: LogP of diethyl phthalate is 2.70. |
| Q: What is the English name of diethyl phthalate? |
| A: The English name of diethyl phthalate is diethyl phthalate. |
| Q: What is the CAS number of diethyl phthalate? |
| A: CAS number of diethyl phthalate is 84-66-2. |
| Q: What is the SMILES notation of diethyl phthalate? |
| A: SMILES notation of diethyl phthalate is CCOC(=O)c1ccccc1C(=O)OCC. |
| Q: What are the upstream materials of diethyl phthalate? |
| A: Related upstream materials(CAS) of diethyl phthalate: 762-21-0;123-73-9;64-17-5;1041479-60-0;201230-82-2;75-03-6;88-99-3;1829-28-3;141-52-6;85-44-9. |
| Q: What is the molecular formula of diethyl phthalate? |
| A: Molecular formula of diethyl phthalate is C12H14O4. |
| Q: How is the water solubility of diethyl phthalate? |
| A: Water solubility of diethyl phthalate: 1 g/L (20 ºC). |
| Q: What is the polar surface area (PSA) of diethyl phthalate? |
| A: Polar surface area (PSA) of diethyl phthalate is 52.60000. |
| Q: What is the InChIKey of diethyl phthalate? |
| A: InChIKey of diethyl phthalate is FLKPEMZONWLCSK-UHFFFAOYSA-N. |
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. |