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1-Docosanol 1-Benzoate
[CAS# 103403-38-9]

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Identification
Name 1-Docosanol 1-Benzoate
Synonyms Benzoic Acid Docosyl Ester; Benzoic Acid Behenyl Ester; 1-Docosanol, Benzoate
Molecular Structure CAS#: 103403-38-9, 1-Docosanol 1-Benzoate
Molecular Formula C29H50O2
Molecular Weight 430.71
CAS Registry Number 103403-38-9
SMILES C1=C(C(OCCCCCCCCCCCCCCCCCCCCCC)=O)C=CC=C1
InChI 1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31-29(30)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3
InChIKey IACXYDVFQDGXJF-UHFFFAOYSA-N
Properties
Density 0.909g/cm3 (Cal.)
Boiling point 518.276°C at 760 mmHg (Cal.)
Flash point 219.281°C (Cal.)
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