2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate

Modify Date: 2025-11-29 16:59:40

2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate Structure
2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate structure
 Common Name 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
CAS Number 80387-97-9 Molecular Weight 422.66400
Density 1.005g/cm3 Boiling Point 471.4ºC at 760 mmHg
Molecular Formula C25H42O3S Melting Point N/A
MSDS N/A Flash Point 238.9ºC

 Names

Name 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.005g/cm3
Boiling Point 471.4ºC at 760 mmHg
Molecular Formula C25H42O3S
Molecular Weight 422.66400
Flash Point 238.9ºC
Exact Mass 422.28500
PSA 71.83000
LogP 6.98000
Index of Refraction 1.51
InChIKey SPDKDTGZSHRXIT-UHFFFAOYSA-N
SMILES CCCCC(CC)COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF5620000
CHEMICAL NAME :
Acetic acid, (((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl) thio)-, 2-ethylhexyl ester
CAS REGISTRY NUMBER :
80387-97-9
LAST UPDATED :
199710
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C25-H42-O3-S
MOLECULAR WEIGHT :
422.73

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0285-0544

 Safety Information

Risk Phrases 61-43-52/53

 Synonyms

Irganox 1192
Einecs 279-452-8
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Chemsrc provides CAS#:80387-97-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate>> amp version: 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate

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