4,4'-(1,2-Diethylethylene)diphenyl dipropionate
Basic information
- CAS
4825-53-0- Standard SMILES
CCC(=O)Oc1ccc(C(CC)C(CC)c2ccc(OC(=O)CC)cc2)cc1- InChIKey
HZLYMVNJKHJFRO-UHFFFAOYSA-N- Molecular formula
- C24H30O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.21440943
Names & identifiers
- Preferred name
- 4,4'-(1,2-Diethylethylene)diphenyl dipropionate
- IUPAC
- [4-[4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
- English name
- HEXESTROL DIPROPIONATE
- Molecular formula
- C24H30O4
- Molecular weight
- 382.49
Names & synonyms
EINECS 225-400-44,4'-(1,2-Diethylethylene)diphenyl dipropionateRefChem:5064124825-53-0[4-[4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoateMLS000028406Hexane-3,4-diylbis(4,1-phenylene) dipropionateSMR000058378Oprea1_638290cid_107342SCHEMBL4312531CHEMBL1577591
Show more names
HEXESTROL DIPROPIONATE4,4'-(1,2-Diethyl-1,2-ethanediyl)bisphenol dipropionatePhenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, 1,1'-dipropanoatepropionic acid [4-[1-ethyl-2-(4-propionyloxyphenyl)butyl]phenyl] ester
BDBM40493DTXSID40964036HZLYMVNJKHJFRO-UHFFFAOYSA-NHMS2235M043,4-Di-(p-propionoxyphenyl)-n-hexanAKOS005443007NCGC00018161-02ST076726
Database identifiers
- CAS
4825-53-0- PubChem CID
- 107342
- DTXSID
DTXSID40964036- ChEMBL
CHEMBL1577591- EC Number
- 225-400-4
- Nikkaji
- J262.480J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 469.5 · 469.5±38.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 87 WC4ICV8O · 87WC4ICV8O
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 281 · P281
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P281
Chemistry & industry
Applications
UsesHexestrol Dipropionate reduces the damage from extensive necrosis of the renal tubules in male mice.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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