Dodecyl phthalate

HCID 88948CAS 21577-80-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O
InChIKey
WGQVJOPQTOUKDI-UHFFFAOYSA-N
Molecular formula
C20H30O4
Average molar mass
334.4 g/mol
Monoisotopic mass
334.21440944

Names & identifiers

Preferred name
Dodecyl phthalate
IUPAC
2-dodecoxycarbonylbenzoic acid
English name
Dodecyl Phthalate
Molecular formula
C20H30O4
Molecular weight
334.45

Names & synonyms

Dodecyl phthalateMonododecyl phthalateTD6HB31KC41,2-Benzenedicarboxylic acid, monododecyl esterEINECS 244-450-8RefChem:5903081,2Benzenedicarboxylic acid, monododecyl ester21577-80-0Dodecyl hydrogen phthalate2-dodecoxycarbonylbenzoic acid2-[(dodecyloxy)carbonyl]benzoic acid2-((dodecyloxy)carbonyl)benzoic acid
Show more names
Lauryl PhthalateMono-n-dodecyl phthalatePhthalic Acid Dodecyl Estermono-n-Dodecyl Phthalate D4Phthalic Acid Monododecyl Ester
mono-DodecylphthalatMonolauryl phthalateUNII-TD6HB31KC4SCHEMBL698756SCHEMBL31312375DTXSID108649982-(dodecyloxycarbonyl)benzoic acidNS00050320

Database identifiers

CAS
21577-80-0
PubChem CID
88948
DTXSID
DTXSID10864998
UNII
TD6HB31KC4
EC Number
244-450-8
Nikkaji
J25.901B

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
14
Heavy atoms
24

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Phthalate Esters
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
49.5 · 49.5-50.0 °C
Boiling point
464.8 · 464.8±28.0 °C(Predicted)
Density
1.04 · 1.040±0.06 g/cm3(Predicted)
pka
3.38 · 3.38±0.36(Predicted)
Indirect Additives used in Food Contact Substances
DODECYL PHTHALATE
FDA 21 CFR
176.3 · 176.300

Safety & regulation

Hazard information

Hazards SummarySee PHTHALATE ESTERS.

Chemistry & industry

Applications

UsesDodecyl Phthalate is used in the preparation of Cytarabine (C998100) derivatives as anticancer agents.

Upstream & downstream products

Upstream raw materials

Suppliers7 total

盐城通铭生物科技有限公司15195160625 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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