U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C50H66O8
Molecular Weight 795.0542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYRIC ACID, 3,3-BIS(3-TERT-BUTYL-4- HYDROXYPHENYL)ETHYLENE ESTER

SMILES

CC(C)(C)C1=CC(=CC=C1O)C(C)(CC(=O)OCCOC(=O)CC(C)(C2=CC=C(O)C(=C2)C(C)(C)C)C3=CC=C(O)C(=C3)C(C)(C)C)C4=CC=C(O)C(=C4)C(C)(C)C

InChI

InChIKey=JOWXNCPELQZFHF-UHFFFAOYSA-N
InChI=1S/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3

HIDE SMILES / InChI
Molecular Formula C50H66O8
Molecular Weight 795.0542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:01:35 GMT 2023
Edited
by admin
on Sat Dec 16 05:01:35 GMT 2023
Record UNII
2IRE6XVP1D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYRIC ACID, 3,3-BIS(3-TERT-BUTYL-4- HYDROXYPHENYL)ETHYLENE ESTER
Common Name English
BENZENEPROPANOIC ACID, 3-(1,1-DIMETHYLETHYL)-.BETA.-(3-(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)-4-HYDROXY-.BETA.-METHYL-, 1,1'-(1,2-ETHANEDIYL) ESTER
Common Name English
ETHYLENE BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTYRATE)
Common Name English
3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)ETHYLENE BUTYRATE
Common Name English
ETHYLENE GLYCOL BIS(.BETA.,.BETA.-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTYRATE)
Common Name English
PLASTIC ADDITIVE 1 [USP-RS]
Common Name English
1,2-ETHANEDIYL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTANOATE)
Common Name English
PLASTIC ADDITIVE 1
USP-RS  
Common Name English
ETHYLENE 3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTYRATE
Systematic Name English
BENZENEPROPANOIC ACID, 3-(1,1-DIMETHYLETHYL)-.BETA.-(3-(1,1- DIMETHYLETHYL)-4-HYDROXYPHENYL)-4-HYDROXY-.BETA.-METHYL-, 1,2- ETHANEDIYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
251-073-2
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
CAS
32509-66-3
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
FDA UNII
2IRE6XVP1D
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
RS_ITEM_NUM
1544927
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
PUBCHEM
122891
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID9052006
Created by admin on Sat Dec 16 05:01:35 GMT 2023 , Edited by admin on Sat Dec 16 05:01:35 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966