2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
C19H20O4
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Identification
- CAS Number
- 85-68-7
- EC Number
- 201-622-7
- UN Number
- 3082
- Index Number
- 607-430-00-3
- PubChem CID
- 2347
Physical-chemical properties
- Molecular Formula
- C19H20O4
- Molar Mass
- 312.40 g/mol
- IUPAC Name
- 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
Chemical Identifiers
- InChI
- InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
- InChI Key
- IRIAEXORFWYRCZ-UHFFFAOYSA-N
Overview
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate (CAS 85-68-7) is a phthalate ester compound with plasticizing properties and significant regulatory restrictions due to reproductive toxicity concerns. This aromatic diester, also known by its EC number 201-622-7, represents a specialized phthalate derivative with a molecular formula of C19H20O4 and molecular weight of 312.4 g/mol. The compound features a benzene ring with two carboxylate groups, where one is esterified with a benzyl group and the other with a butyl group, creating an asymmetric phthalate structure that distinguishes it from conventional symmetric phthalates. The substance carries serious safety classifications under the globally harmonized system, designated as Repr. 1B for reproductive toxicity category 1B, alongside Aquatic Acute 1 and Aquatic Chronic 1 for environmental hazards. These classifications mandate the "Danger" signal word and require both GHS08 (health hazard) and GHS09 (environmental hazard) pictograms on safety documentation. Transportation falls under ADR class 9 for miscellaneous dangerous substances, reflecting its regulatory status. Unlike simpler organosilicon compounds such as (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane, this phthalate ester exhibits typical plasticizer behavior in polymer applications. Industrial applications primarily include specialized plastic formulations requiring specific flexibility characteristics, polymer modification in niche applications, and use as an intermediate in chemical synthesis processes where its unique asymmetric structure provides distinct performance attributes. Due to reproductive toxicity concerns, industrial use requires strict handling protocols and regulatory compliance. OYSI maintains availability of this technical-grade compound for qualified industrial customers with appropriate safety management systems and regulatory authorizations.
Safety & Classification
Repr. 1B; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Benzylbutylphthalat |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is a phthalate ester compound with CAS number 85-68-7 and molecular formula C19H20O4. This chemical substance has a molecular weight of 312.4 g/mol and belongs to the family of benzene dicarboxylate derivatives. It is classified as a reproductive toxicant (Repr. 1B) and poses significant environmental hazards to aquatic life, requiring careful handling and regulatory compliance in industrial applications.
What are the physicochemical properties of 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is an organic ester compound with molecular formula C19H20O4 and molecular weight 312.4 g/mol. As a phthalate derivative, it typically exists as a liquid at room temperature with low volatility. The compound contains both benzyl and butyl ester groups attached to a benzene dicarboxylate backbone, which influences its solubility characteristics and chemical stability under normal storage conditions.
What is 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate used for?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is primarily used as a chemical intermediate and specialty plasticizer in various industrial applications. Phthalate esters like this compound are commonly employed in polymer processing, resin formulations, and as additives to modify material properties. Due to its reproductive toxicity classification, its use is strictly regulated and limited to professional industrial applications where appropriate safety measures and regulatory compliance can be ensured.
How to handle 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate safely?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate requires strict safety protocols due to its Repr. 1B classification and environmental hazards. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Implement containment measures to prevent environmental release, as the substance poses acute and chronic aquatic toxicity risks requiring immediate spill cleanup procedures.
How to store 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate correctly?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use original containers or approved chemical-resistant vessels with proper labeling including GHS08 and GHS09 pictograms. Storage areas should have secondary containment to prevent environmental contamination due to its aquatic toxicity. Access must be restricted to trained personnel only, and storage locations should comply with local regulations for reproductive toxicants and environmentally hazardous substances.
What to do in case of contact with 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate?
Immediate action is required for any contact with 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate due to its reproductive toxicity. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes and remove contact lenses if present. For inhalation, move to fresh air immediately. Seek immediate medical attention in all cases and provide safety data sheet to medical personnel.
How to dispose of 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate appropriately?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate requires specialized hazardous waste disposal due to its reproductive toxicity and environmental hazard classifications. Disposal must comply with local and EU waste regulations for hazardous chemicals. Contact licensed hazardous waste disposal companies for proper treatment and destruction. Never discharge to sewers, soil, or water bodies due to acute and chronic aquatic toxicity. Maintain detailed waste disposal records and ensure transport by authorized hazardous waste carriers only.
How to transport 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. Transport requires proper ADR-compliant packaging, labeling, and documentation including transport documents and safety data sheets. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The shipment must be secured to prevent damage and leakage, with emergency response information readily available during transport to ensure safe handling of any incidents.
Is 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate subject to specific regulations?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is subject to extensive EU chemical regulations including REACH registration requirements and CLP classification as Repr. 1B with environmental hazards. While not currently listed as a Substance of Very High Concern (SVHC), its reproductive toxicity classification may trigger authorization requirements for certain uses. Companies must maintain safety data sheets, implement risk management measures, and ensure compliance with occupational exposure limits and environmental protection standards throughout the supply chain.
Where to buy 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate in Europe?
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI ensures full regulatory compliance, proper documentation, and safe delivery across Europe. Due to the substance's reproductive toxicity and environmental hazard classifications, sales are restricted to qualified industrial users with appropriate safety measures and regulatory authorizations. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.