Basic information
- CAS
110729-26-5- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(O)c(C(C)(C)C)c1- InChIKey
XFBPLFFEZVVMDA-UHFFFAOYSA-N- Molecular formula
- C31H54O3
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 474.40729558
Names & identifiers
- Preferred name
- Octadecyl 3-(3-Tert-Butyl-4-Hydroxyphenyl)Propanoate
- IUPAC
- octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
- English name
- Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester
- Molecular formula
- C31H54O3
- Molecular weight
- 474.76
Names & synonyms
110729-26-5octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoateDTXSID801016662RefChem:1093763DTXCID801474856Octadecyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoateBenzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,octadecyl esterMFCD30062864SCHEMBL3468016AKOS037647157AS-72627CS-0198857
Show more names
ndecaoctalkaneyl-3-(4-hydroxy-3-tert-butylphenyl)propanoic acidester
D80962F634196octadecyl 3-(3-tert-butyl-4-hydroxy-phenyl)propanoateOctadecyl3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate
Database identifiers
- CAS
110729-26-5- PubChem CID
- 19979679
- DTXSID
DTXSID801016662
Properties
Computed structural properties
- XLogP
- 12.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 22
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 551.8 · 551.8±35.0 °C(Predicted)
- Density
- 0.941 · 0.941±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.39 · 11.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [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]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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