1,2-Benzenedicarboxylic acid butyl phenylmethyl ester
Butyl benzyl phthalate
CAS: 85-68-7
Molecular Formula: C19H20O4
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Names and Identifiers
| Name | Butyl benzyl phthalate |
| Synonyms | BBP Paratinol BB SANTICIZER(R) 160 Butyl benzyl phthlate Butyl benzyl phthalate Benzyl butyl phthalate C6H4(COOCH2C6H5)COO(CH2)3CH3 PHTHALIC ACID, BENZYLBUTYL ESTER benzyl butyl benzene-1,2-dicarboxylate butyl phenylmethyl 1,2-benzenecarboxylate Butyl phenylmethyl 1,2-benzenedicarboxylate 1,2-Benzenedicarboxylic acid butyl phenylmethyl ester 1-O-butyl 2-O-(phenylmethyl) benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-(benzyl) ester O1-butyl ester (11beta,16beta)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxo-21-(propanoyloxy)pregna-1,4-dien-17-yl butanoate |
| CAS | 85-68-7 |
| EINECS | 201-622-7 |
| InChI | InChI=1/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1 |
| InChIKey | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Physico-chemical Properties
| Molecular Formula | C19H20O4 |
| Molar Mass | 312.36 |
| Density | 1.1g/mLat 25°C(lit.) |
| Melting Point | <-35°C |
| Boling Point | 370°C |
| Flash Point | >230°F |
| Water Solubility | 0.000269 g/100 mL |
| Solubility | Insoluble in water, soluble in general organic solvents. |
| Vapor Presure | 0.16 mm Hg ( 150 °C) |
| Vapor Density | 10.8 (vs air) |
| Appearance | Oily Liquid |
| Specific Gravity | 1.1 |
| Color | Clear |
| BRN | 2062204 |
| Storage Condition | room temp |
| Refractive Index | n20/D 1.54(lit.) |
| MDL | MFCD00009440 |
| Physical and Chemical Properties | Colorless transparent oily liquid. Slightly aromatic. |
| Use | Plasticizers for polyvinyl chloride, vinyl chloride copolymers, cellulose resins, natural and synthetic rubber |
| In vitro study | Benzyl butyl phthalate (BBP) is commonly added during the manufacturing of plastics to increase flexibility and elasticity. Benzyl butyl phthalate induces histone modifications in S1PR3 in side population (SP) cells, but not in non-SP cells. |
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Risk and Safety
| Risk Codes | R61 - May cause harm to the unborn child R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R62 - Possible risk of impaired fertility |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3082 9/PG 3 |
| WGK Germany | 2 |
| RTECS | TH9990000 |
| TSCA | Yes |
| HS Code | 29173400 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | Acute oral LD50 for guinea pigs 13,750 mg/kg, mice 4,170 mg/kg, rats 2,330 mg/kg (quoted, RTECS, 1985). |
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Reference
| Reference Show more | 1. [IF=7.963] Ming Li et al."Sensitive and selective determination of butyl benzyl phthalate from environmental samples using an enzyme immunoassay."Sci Total Environ. 2019 Oct;687:849 |
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Production method
Monobutyl phthalate (131-70-4) is obtained by esterification of phthalic anhydride and butanol, and then the second esterification with benzyl chloride in the presence of sodium carbonate, neutralized by liquid alkali, and distilled under reduced pressure after washing with water.
raw material consumption (kg/t)
Phthalic anhydride (98%)
Butanol 290
Benzyl chloride 620
Sodium carbonate 320
Last Update：2023-08-16 23:22:23
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Security
| category | flammable liquid |
| Toxicity classification | Poisoning |
| acute toxicity | oral-rat LD50: 2330 mg/kg; Oral-mouse LD50: 4170 mg/kg |
| explosive hazard characteristics | can react violently with oxidant |
| flammability hazard characteristics | It is more flammable when exposed to open flames, high temperatures, strong oxidants, and acids; combustion emissions stimulate smoke |
| storage and transportation characteristics | The package is complete and light; the warehouse is ventilated, away from open flames, high temperature, and stored separately from oxidant and acid |
| fire extinguishing agent | foam, carbon dioxide, dry powder |
| occupational standards | TWA 3 mg/kg; STEL 5 mg/kg |
Last Update：2023-08-16 23:22:23
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester - Reference Information
| freezing point | -35 ℃ |
| Henry's Law Constant | (x 10-6 atm?m3/mol):1.3 at 25 °C (calculated, Howard, 1989) |
| LogP | 4.84 at 20℃ |
| (IARC) carcinogen classification | 3 (Vol. Sup 7, 73) 1999 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | Butyl benyl phthlate (BBP, 1, 2-bengenedatherosclerotic acid, butyl phenylmethyl ester) is a phthalate ester, is a toxic substance that may be used as a plasticizer. |
| Use | used as plasticizer for polyvinyl chloride, Vinyl Chloride Copolymer, cellulose resin, natural and synthetic rubber mainly used as plasticizer. It has strong dissolution ability, good mutual solubility with polyvinyl chloride resin, vinyl acetate resin, polystyrene and nitrocellulose, Good pollution resistance, fast plasticizing speed and large filler capacity, resistant to water and oil extraction. It may be used as a primary plasticizer. Often with other plasticizers, for a large number of fillers in the plastic floor, decorative materials, corrugated board. The product is used for the manufacture of films, plates and pipes, and can obtain products with excellent transparency and smooth surface. It is also used for calendering foam artificial leather. |
| production method | monobutyl phthalate [131-70-4] is obtained from phthalic anhydride and butanol via esterification, then, it is obtained by a second esterification with benzyl chloride in the presence of sodium carbonate, neutralization by liquid alkali, washing with water, and distillation under reduced pressure. Raw material consumption (kg/t) phthalic anhydride (98%) 560 butanol 290 benzyl chloride 620 sodium carbonate 320 |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2330 mg/kg; Oral-mouse LD50: 4170 mg/kg |
| explosive hazard characteristics | can strongly react with oxidant |
| flammability hazard characteristics | flammable in case of open flame, high temperature, strong oxidant and acid; combustion emissions |
| storage and transportation characteristics | The package is complete, light, light; The warehouse is ventilated, away from open flame, high temperature, and oxidant, separate storage of acid |
| fire extinguishing agent | foam, carbon dioxide, dry powder |
| Occupational Standard | TWA 3 mg/kg; Tel 5 mg/kg |
| spontaneous combustion temperature | 450 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:53
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View History
1,2-Benzenedicarboxylic acid butyl phenylmethyl ester
4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalene-1-one
Picras-3-en-16-one, 13,20-epoxy-1,2,11,12,14,15-hexahydroxy-, (1β,2α,11β,12α,15β)-
Benzene, 2-(chloroMethyl)-1-fluoro-3-(trifluoroMethyl)-
ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
N-(4-{[(4-ethoxyphenyl)amino]sulfonyl}phenyl)-4-methylbenzamide
2-chloro-N-[(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[1,4-dioxo-3-(1-pyrrolidinyl)-1,4-dihydro-2-naphthalenyl]-N-(4-isopropyl-3-methylphenyl)acetamide
1,2-双(二甲硅基)苯
54558-23-5
4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalene-1-one
Picras-3-en-16-one, 13,20-epoxy-1,2,11,12,14,15-hexahydroxy-, (1β,2α,11β,12α,15β)-
Benzene, 2-(chloroMethyl)-1-fluoro-3-(trifluoroMethyl)-
ethyl (3S,4S,5R)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
N-(4-{[(4-ethoxyphenyl)amino]sulfonyl}phenyl)-4-methylbenzamide
2-chloro-N-[(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[1,4-dioxo-3-(1-pyrrolidinyl)-1,4-dihydro-2-naphthalenyl]-N-(4-isopropyl-3-methylphenyl)acetamide
1,2-双(二甲硅基)苯
54558-23-5