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Methyl 2-ethylhexyl phthalate

HCID 596027
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Basic information

CAS
56166-83-7
Standard SMILES
CCCCC(CC)COC(=O)c1ccccc1C(=O)OC
InChIKey
MQYNKBGLFNKJPL-UHFFFAOYSA-N
Molecular formula
C17H24O4
Average molar mass
292.4 g/mol
Monoisotopic mass
292.16745924

Names & identifiers

Preferred name
Methyl 2-ethylhexyl phthalate
IUPAC
2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate
English name
Methyl2-ethylhexylphthala
Molecular formula
C17H24O4
Molecular weight
292.37

Names & synonyms

Methyl 2-ethylhexyl phthalate56166-83-7DTXSID20880902RefChem:1089327DTXCID1010222462-Ethylhexyl methyl phthalate1-(2-ethylhexyl) 2-methyl benzene-1,2-dicarboxylate2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate1,2-Benzenedicarboxylic acid, 2-ethylhexyl methyl esterMFCD32206197methyl-2-ethylhexyl phthalateSCHEMBL6404103
Show more names
Methyl2-ethylhexylphthala1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-methyl ester
MQYNKBGLFNKJPL-UHFFFAOYSA-NAKOS037645283METHYL(2-ETHYLHEXYL) PHTHALATE1-(2-Ethylhexyl) 2-methyl phthalate #AS-59661NS000960632-Ethylhexyl methyl benzene-1,2-dicarboxylateD93134

Database identifiers

CAS
56166-83-7
PubChem CID
596027
DTXSID
DTXSID20880902
Nikkaji
J45.528H

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
21
Formal charge
0
Complexity
327

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point
151 · 151-155 °C(Press: 0.5 Torr)
Density
1.039 · 1.039±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers7 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]

Related reactions

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Compound notes

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