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80387-97-9

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Basic Information
CAS No.: 80387-97-9
Name: 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
Article Data: 2
Molecular Structure:
Molecular Structure of 80387-97-9 (2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate)
Formula: C25H42O3S
Molecular Weight: 422.673
Synonyms: Einecs 279-452-8;Irganox 1192;
Density: 1.005g/cm3
Boiling Point: 471.4°Cat760mmHg
Flash Point: 238.9°C
Risk Codes: R61; R43; R52/53
Safety: An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx.
PSA: 71.83000
LogP: 6.98000
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  • (((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester

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    (((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester

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Chemistry

Molecular Structure of (((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester (CAS NO. 80387-97-9):

IUPAC Name: 2-Ethylhexyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate 
Molecular Formula: C25H42O3S
Molecular Weight: 422.664180 g/mol
XLogP3-AA: 8.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CCCCC(CC)COC(=O)CSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI: InChI=1S/C25H42O3S/c1-9-11-12-18(10-2)15-28-22(26)17-29-16-19-13-20(24(3,4)5)23(27)21(14-19)25(6,7)8/h13-14,18,27H,9-12,15-17H2,1-8H3
InChIKey: SPDKDTGZSHRXIT-UHFFFAOYSA-N
Index of Refraction: 1.51
Molar Refractivity: 125.88 cm3
Molar Volume: 420.4 cm3
Surface Tension: 35.4 dyne/cm
Density: 1.005 g/cm3
Flash Point: 238.9 °C
Enthalpy of Vaporization: 76.22 kJ/mol
Boiling Point: 471.4 °C at 760 mmHg
Vapour Pressure: 1.65E-09 mmHg at 25 °C
EINECS: 279-452-8

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of (((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester (CAS NO. 80387-97-9):
Hazard Codes: T Toxic
Risk Statements: 61-43-52/53
R61:May cause harm to the unborn child
R43:May cause sensitization by skin contact
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 53-45-61
S53:Avoid exposure - obtain special instructions before use
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx.

Specification

  (((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester with cas registry number of 80387-97-9 is also called for Irganox 1192 ; 2-Ethylhexyl (((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetate ; Acetic acid, (((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)-, 2-ethylhexyl ester ; Acetic acid, 2-(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)-, 2-ethylhexyl ester .