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🧪 Monobutyl phthalate

Appears in: 1 pathway
Produces: 2 compounds
Produced by: 1 transformation

Chemical Structure

Monobutyl phthalate

📋 Properties

SMILES:
O=C([O-])C=1C=CC=CC1C(=O)OCCCC
InChI:
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)/p-1
Database ID:
1050
External:
View on PubChem ↗

🔬 Reactant

Reactant Monobutyl phthalate → Product tert-Butyl alcohol
monobutyl phthalate hydrolase (Eawag BBD reaction r1706)       (EC 3.1.1.-)
In pathway: Phthalate Family
Reactant Monobutyl phthalate → Product Phthalate
monobutyl phthalate hydrolase (Eawag BBD reaction r1706)       (EC 3.1.1.-)
In pathway: Phthalate Family

🔬 Product

Reactant Dibutyl phthalate → Product Monobutyl phthalate
dibutyl phthalate hydrolase (Eawag BBD reaction r1705)       (EC 3.1.1.-)
In pathway: Phthalate Family

🗺️ All Pathways Containing This Compound

Phthalate Family
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