Basic information
- CAS
62625-15-4- Standard SMILES
CCCC(=O)Oc1ccc(C2(c3ccc(OC(=O)CCC)cc3)OC(=O)c3ccccc32)cc1- InChIKey
JKODXQNSKLMPQT-UHFFFAOYSA-N- Molecular formula
- C28H26O6
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.17293854
Names & identifiers
- Preferred name
- Butanoic acid, 1,1'-((3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) ester
- IUPAC
- [4-[1-(4-butanoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] butanoate
- English name
- Phenolphthalein dibutyrate
- Molecular formula
- C28H26O6
- Molecular weight
- 458.5
Names & synonyms
EINECS 263-646-4NSC 83609(3-Oxo-1(3H)-isobenzofurylidene)di-p-phenylene dibutyrateButanoic acid, 1,1'-((3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) esterButanoic acid, 1,1'-[(3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] esterRefChem:571313263-646-462625-15-4PHENOLPHTHALEIN DIBUTYRATEButanoic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester[4-[1-(4-butanoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] butanoate1,1'-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate
Show more names
Quetiapine Impurity 13-d8Bisbutyrate phenolphthaleinPhenolphthaleinDibutyrateA.R3,3-BIS(P-HYDROXYPHENYL)PHTHALIDE DIBUTYRATEbutanoicacid,(3-oxo-1(3h)-isobenzofuranylidene)di-4,1-phenyleneesterDibutanoic acid [3-oxo-1(3H)-isobenzofuranylidene]di-4,1-phenylene ester
PhenolphthaleindibutyratButanoic acid,1-phenylene esterDTXSID5069592SCHEMBL30155241JKODXQNSKLMPQT-UHFFFAOYSA-NNSC83609NSC-83609AKOS024420959
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 676
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- Butanoic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester (62625-15-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 1,1'-[(3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] ester: INACTIVE
Suppliers5 total
北京华美互利生物化工010-56205725 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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