Basic information
- CAS
63251-44-5- Standard SMILES
CCCCCCCCCCCCC(Oc1ccc(OC(C)=O)c(C(C)(C)C)c1)C(=O)O- InChIKey
CHHPAKDBYQWWTL-UHFFFAOYSA-N- Molecular formula
- C26H42O5
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.30322444
Names & identifiers
- Preferred name
- Tetradecanoic acid, 2-(4-(acetyloxy)-3-(1,1-dimethylethyl)phenoxy)-
- IUPAC
- 2-(4-acetyloxy-3-tert-butylphenoxy)tetradecanoic acid
- English name
- 2-(p-acetoxy-m-isobutylphenoxy)myristic acid
- Molecular formula
- C26H42O5
- Molecular weight
- 434.61
Names & synonyms
EINECS 264-050-72-(4-Acetoxy-3-tert-butylphenoxy)tetradecanoic acidDTXSID008865632-(4-(Acetyloxy)-3-tert-butylphenoxy)myristic acidTetradecanoic acid, 2-(4-(acetyloxy)-3-(1,1-dimethylethyl)phenoxy)-Tetradecanoic acid, 2-[4-(acetyloxy)-3-(1,1-dimethylethyl)phenoxy]-2-[4-(Acetyloxy)-3-tert-butylphenoxy]myristic acidRefChem:896911DTXCID4010258872-(p-Acetoxy-m-isobutylphenoxy)myristic acid63251-44-52-(4-acetyloxy-3-tert-butylphenoxy)tetradecanoic acid
Show more names
2-(4-Acetoxy-3-tert-butylphenoxy)-myristic acid2-[4-(Acetyloxy)-3-(1,1-dimethylethyl)phenoxy]tetradecanoic acid
2-[4-(acetyloxy)-3-tert-butylphenoxy]tetradecanoic acidSCHEMBL7825136CHHPAKDBYQWWTL-UHFFFAOYSA-N
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-[4-(Acetyloxy)-3-tert-butylphenoxy]myristic acid (63251-44-5)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTetradecanoic acid, 2-[4-(acetyloxy)-3-(1,1-dimethylethyl)phenoxy]-: INACTIVE
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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