1,2-Benzenedicarboxylic acid structure
|
Common Name | 1,2-Benzenedicarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 84-74-2 | Molecular Weight | 278.344 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 337.0±10.0 °C at 760 mmHg | |
| Molecular Formula | C16H22O4 | Melting Point | -35 °C | |
| MSDS | Chinese USA | Flash Point | 171.1±0.0 °C | |
| Symbol |
GHS08, GHS09 |
Signal Word | Danger | |
Use of 1,2-Benzenedicarboxylic acidDibutyl phthalate is a commonly used plasticizer commonly found in some food packaging materials, personal care products, and the coating of oral medications[1]. May cause toxicity and adverse neurobehavioral effects[2][3]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | dibutyl phthalate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Dibutyl phthalate is a commonly used plasticizer commonly found in some food packaging materials, personal care products, and the coating of oral medications[1]. May cause toxicity and adverse neurobehavioral effects[2][3]. |
|---|---|
| Related Catalog | |
| In Vitro | Dibutyl phthalate (0.001 µg/mL-1000 µg/mL) is detrimental to follicle growth and viability and results in significant dysregulation of cell cycle and apoptosis gene expression in a dose-specific manner. But MBP does not play a role in Dibutyl phthalate toxicity in follicles exposed in vitro[1]. |
| In Vivo | Dibutyl phthalate (200, 400, or 600 mg/kg/day) induces decrease mice weight, impairment of spermatogenesis, reduces serum follicle stimulating hormone and testosterone level, alters testicular LDH, increases LPO, and decreases the levels of enzymatic antioxidants with histopathological anomalies[2]. Dibutyl phthalate (6.25, 12.5, 25, 50, 100 and 200 mg/kg) could cause some neurobehavioral adverse effects in mice[3]. |
| References |
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 | 337.0±10.0 °C at 760 mmHg |
| Melting Point | -35 °C |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.344 |
| Flash Point | 171.1±0.0 °C |
| Exact Mass | 278.151794 |
| PSA | 52.60000 |
| LogP | 4.82 |
| Vapour density | 9.6 (vs air) |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.499 |
| InChIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| Water Solubility | Slightly soluble. 0.0013 g/100 mL |
| Freezing Point | -35℃ |
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
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H360Df-H400 |
| Precautionary Statements | P201-P273-P308 + P313 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic |
| Risk Phrases | R61;R50;R62 |
| Safety Phrases | S53-S45-S61-S36/37-S16 |
| RIDADR | UN 3082 9/PG 3 |
| WGK Germany | 2 |
| RTECS | TI0875000 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 2917341090 |
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 9 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917349000 |
|---|---|
| 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.
|
Effects of Endocrine Disruptor Compounds, Alone or in Combination, on Human Macrophage-Like THP-1 Cell Response.
PLoS ONE 10 , e0131428, (2015) The aim of the present study was to evaluate the immunological effects on human macrophages of four endocrine disruptor compounds (EDCs) using the differentiated human THP-1 cell line as a model. We s... |
|
|
Analysis of phthalates in milk and milk products by liquid chromatography coupled to quadrupole Orbitrap high-resolution mass spectrometry.
J. Chromatogr. A. 1362 , 110-8, (2014) A new analytical method was developed and validated for simultaneous analysis of 27 phthalates in milk and milk products. Response surface methodology was employed to optimize a quick, easy, cheap, ef... |
|
|
Cholesterol-Independent Suppression of Lymphocyte Activation, Autoimmunity, and Glomerulonephritis by Apolipoprotein A-I in Normocholesterolemic Lupus-Prone Mice.
J. Immunol. 195 , 4685-98, (2015) Apolipoprotein (Apo)A-I, the major lipid-binding protein of high-density lipoprotein, can prevent autoimmunity and suppress inflammation in hypercholesterolemic mice by attenuating lymphocyte choleste... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| phthalic acid dibutyl ester |
| EINECS 201-557-4 |
| dibutylphosphonic acid butyl ester |
| dibutyl benzene-1,2-dicarboxylate |
| 1,2-dibutyl 1,2-benzenedicarboxylate |
| Dibutyl phthalate |
| Butylester of dibutylphosphinic acid |
| MFCD00282537 |
| phthalic acid di-n-butyl ester |
| di-n-butyl phthalate |
| DBP |
| butyl dibutylphosphinate |
| 2,6-di-t-butyl-4-methyl-phenol |
| Dibutylphthalate |
| butyl phthalate |
| Dibutylphosphinsaeure-butylester |
| dibutyl-phosphinic acid butyl ester |
| Phosphinic acid,dibutyl-,butyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of dibutyl phthalate? |
| A: SMILES notation of dibutyl phthalate is CCCCOC(=O)c1ccccc1C(=O)OCCCC. |
| Q: What are the upstream materials of dibutyl phthalate? |
| A: Related upstream materials(CAS) of dibutyl phthalate: 85-44-9;71-36-3;109-65-9;88-99-3;131-70-4;104-76-7;84-66-2;71-43-2;81-88-9. |
| Q: What is the LogP of dibutyl phthalate? |
| A: LogP of dibutyl phthalate is 4.82. |
| Q: What is the boiling point of dibutyl phthalate? |
| A: Boiling point of dibutyl phthalate is 337.0±10.0 °C at 760 mmHg. |
| Q: How is the water solubility of dibutyl phthalate? |
| A: Water solubility of dibutyl phthalate: Slightly soluble. 0.0013 g/100 mL. |
| Q: What is the molecular formula of dibutyl phthalate? |
| A: Molecular formula of dibutyl phthalate is C16H22O4. |
| Q: What is the polar surface area (PSA) of dibutyl phthalate? |
| A: Polar surface area (PSA) of dibutyl phthalate is 52.60000. |
| Q: What is the English name of dibutyl phthalate? |
| A: The English name of dibutyl phthalate is dibutyl phthalate. |
| Q: What are the downstream products of dibutyl phthalate? |
| A: Related downstream products(CAS) of dibutyl phthalate: 85-44-9;542-69-8;108-24-7;107-01-7;65-85-0;106-98-9;109-69-3;88-99-3;78-92-2;23563-27-1. |
| Q: What are the uses of dibutyl phthalate? |
| A: Main uses of dibutyl phthalate: Dibutyl phthalate is a commonly used plasticizer commonly found in some food packaging materials, personal care products, and the coating of oral medications[1]. May cause toxicity and adverse neurobehavioral effects[2][3]. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |