Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
C15H22O3
methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
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Identification
- CAS Number
- 6386-39-6
- EC Number
- 403-270-1
- UN Number
- 3082
- Index Number
- 607-211-00-2
- PubChem CID
- 165455
Physical-chemical properties
- Molecular Formula
- C15H22O3
- Molar Mass
- 250.33 g/mol
- IUPAC Name
- methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
Chemical Identifiers
- InChI
- InChI=1S/C15H22O3/c1-10-8-11(6-7-13(16)18-5)9-12(14(10)17)15(2,3)4/h8-9,17H,6-7H2,1-5H3
- InChI Key
- FQCQJBVYSORVEW-UHFFFAOYSA-N
Overview
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate (CAS 6386-39-6) is a phenolic ester compound with antioxidant properties and molecular formula C15H22O3. This specialized organic compound belongs to the family of substituted phenolic esters, characterized by its unique molecular structure featuring a tert-butyl group, hydroxyl functionality, and methyl ester chain. With a molecular weight of 250.33 g/mol and EC number 403-270-1, this substance exhibits notable chemical stability due to its phenolic antioxidant properties, making it valuable in various industrial applications where oxidation resistance is crucial. The compound's safety profile requires careful handling, as it is classified under GHS pictograms GHS07 and GHS09 with hazard classes Acute Tox. 4 and Aquatic Chronic 2. The "Warning" signal word indicates moderate hazard potential, necessitating appropriate personal protective equipment and environmental precautions during handling and storage. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. In industrial applications, methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate serves primarily as an antioxidant additive in polymer formulations, helping prevent degradation in plastics and rubber compounds. It also finds use in specialty chemical synthesis and as a stabilizer in various formulations requiring oxidation protection. Unlike related compounds such as diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate, which serves different synthetic purposes, this phenolic ester is specifically valued for its antioxidant efficacy. OYSI supplies this technical-grade chemical compound to meet the demanding requirements of European industrial customers requiring reliable antioxidant solutions.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
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
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Methyl-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionat |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is an organic chemical compound with the molecular formula C15H22O3 and CAS number 6386-39-6. This ester compound has a molecular weight of 250.33 g/mol and features a phenolic structure with tert-butyl and methyl substituents. It is classified as a hazardous substance with acute toxicity category 4 and chronic aquatic toxicity category 2 under GHS classification.
What are the physicochemical properties of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is a chemical compound with molecular formula C15H22O3 and molecular weight 250.33 g/mol. As an ester derivative with phenolic characteristics, it typically exists as a solid or viscous liquid at room temperature. The presence of the hydroxyl group and bulky tert-butyl substituent influences its solubility properties and chemical reactivity.
What is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate used for?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its phenolic ester structure makes it valuable for producing various derivatives and compounds in the chemical industry. The compound may also serve as a building block for specialty chemicals, research applications, and potentially in the development of materials with specific properties.
How to handle methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate safely?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate requires careful handling due to its Acute Tox. 4 classification. Personnel should wear appropriate personal protective equipment including safety gloves, eye protection, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, and prevent inhalation. Follow standard chemical handling procedures and maintain good industrial hygiene practices.
How to store methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate correctly?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and protected from physical damage. Due to its aquatic toxicity classification, prevent environmental release. Store away from incompatible materials and ensure proper labeling. Maintain storage temperature according to supplier specifications and check container integrity regularly.
What to do in case of contact with methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
Immediate action is required upon contact with methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate due to its acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air. If ingested, do not induce vomiting. Seek medical attention immediately and provide safety data sheet to medical personnel.
How to dispose of methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate properly?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate must be disposed of through licensed hazardous waste disposal facilities in accordance with local, national, and EU regulations. Due to its aquatic chronic toxicity classification, prevent environmental release. Do not discharge to sewers, waterways, or soil. Container disposal should follow local regulations for hazardous chemical containers. Consult with certified waste management companies for proper treatment and disposal methods.
How to transport methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. Packages must comply with UN packaging requirements and be properly labeled with hazard markings. Transport vehicles should carry appropriate documentation including transport documents and emergency response information. Ensure secure loading to prevent spillage and damage during transit while following ADR regulations for Class 9 substances.
Is methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate subject to specific regulations?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is subject to EU REACH regulation for registration, evaluation, and authorization of chemicals. It must be classified and labeled according to CLP regulation with GHS07 and GHS09 pictograms and 'Warning' signal word. The substance is not currently listed as SVHC (Substance of Very High Concern). Companies handling this chemical must comply with workplace safety regulations and environmental protection requirements.
Where to buy methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate in Europe?
Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for European markets. As a specialized chemical distributor, OYSI ensures quality control and proper handling throughout the supply chain, serving industrial customers across Europe with reliable chemical sourcing solutions.
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Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.