Benzyl 2-Ethylhexyl Phthalate - ≥95%(GC) , CAS No.27215-22-1

CAS: 27215-22-1 Cat. No.: B152080 Molecular Weight: 368.47 EC Number: 248-335-3

GRADE & PURITY ≥95%(GC)

Synonyms

Benzyl(2-ethylhexyl)phthalate | Phthalic acid, benzyl 2-ethylhexyl ester | FEMA3516 | RVBLXUAPXWEIPM-UHFFFAOYSA-N | Benzyl (2-ethylhexyl) phthalate | 1-O-benzyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate | BRN 3467406 | SCHEMBL1373886 | 1,2-Benzenedicar

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzyl(2-ethylhexyl)phthalate | Phthalic acid, benzyl 2-ethylhexyl ester | FEMA3516 | RVBLXUAPXWEIPM-UHFFFAOYSA-N | Benzyl (2-ethylhexyl) phthalate | 1-O-benzyl 2-O-(2-ethylhexyl) benzene-1, 2-dicarboxylate | BRN 3467406 | SCHEMBL1373886 | 1, 2-Benzenedicar

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488188619
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188619
• Isomeric SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
• Molecular Weight: 368.47
• Reaxy-Rn: 3467406

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble
• Flash Point(°F): 422.60℉
• Flash Point(°C): 217°C
• Boil Point(°C): 401 °C
• Molecular Weight: 368.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 368.199 Da
• Monoisotopic Mass: 368.199 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 442.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Leng Yue, Sun Yonghai, Huang Wei, Lv Chengyu, Cui Jingyan, Li Tiezhu, Wang Yongjun.  (2021)  Identification of dicyclohexyl phthalate as a glucocorticoid receptor antagonist by molecular docking and multiple in vitro methods.  MOLECULAR BIOLOGY REPORTS,  48  (4): (3145-3154).  [PMID:33881729] [10.1007/s11033-021-06303-2]