2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
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![2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fcdb27672ea1480c80f3cb18793f6c1b.png "2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate")
2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
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CAS No:
80387-97-9
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Formula:
C25H42O3S
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Chemical Name:
2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
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Synonyms:
Acetic acid,2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-,2-ethylhexyl ester;Acetic acid,[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-,2-ethylhexyl ester;2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate;2-Ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
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CAS No:
2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate Basic Attributes
422.66418
422.66
279-452-8
Characteristics
71.8
8.4
1.0147 (rough estimate)
509.22°C (rough estimate)
238.9ºC
1.51
Flammable; burning produces toxic sulfur oxide fumes
Safety Information
61-43-52/53
53-45-61
T
Warehouse ventilated, low temperature and dry
P201, P202, P261, P272, P273, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P405, P501
H317
|Danger|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P273, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P405, and P501
2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate Use and Manufacturing
Acetic acid, 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:422.7
XLogP3:8.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:422.28546637
Monoisotopic Mass:422.28546637
Topological Polar Surface Area:71.8
Heavy Atom Count:29
Complexity:453
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Ethylhexyl 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
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