Butanedioic acid,monoisooctyl ester (9CI) supplier

Name
isooctyl hydrogen succinate
EINECS 304-346-6
CAS No. 94248-72-3
Density
Solubility
Melting Point
Formula C₁₂H₂₂O₄
Boiling Point
Molecular Weight 230.30068
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms isooctyl hydrogen succinate
PSA 63.60000
LogP 2.61080

Butanedioic acid,monoisooctyl ester (9CI) Specification

The Butanedioic acid,monoisooctyl ester (9CI), with the CAS registry number 94248-72-3, is also known as Isooctyl hydrogen succinate. Its EINECS registry number is 304-346-6. This chemical's molecular formula is C₁₂H₂₂O₄ and molecular weight is 230.30068. Its IUPAC name is called 4-(6-methylheptoxy)-4-oxobutanoic acid.

Physical properties of Butanedioic acid,monoisooctyl ester (9CI): (1)Heavy Atom Count: 16; (2)Formal Charge: 0; (3)Complexity: 211; (4)Covalently-Bonded Unit Count: 1; (5)Feature 3D Acceptor Count: 3; (6)Feature 3D Anion Count: 1; (7)Feature 3D Hydrophobe Count: 2; (8)Effective Rotor Count: 10; (9)Conformer Sampling RMSD: 1; (10)CID Conformer Count: 126.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCOC(=O)CCC(=O)O
(2)InChI: InChI=1S/C12H22O4/c1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
(3)InChIKey: QDHAMQZZWGKACC-UHFFFAOYSA-N

Product Name

isooctyl hydrogen succinate

Butanedioic acid,monoisooctyl ester (9CI) Specification

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