Basic information
- CAS
32509-66-3- Standard SMILES
CC(C)(C)c1cc(C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O- InChIKey
JOWXNCPELQZFHF-UHFFFAOYSA-N- Molecular formula
- C50H66O8
- Average molar mass
- 795.1 g/mol
- Monoisotopic mass
- 794.47576906
Names & identifiers
- Preferred name
- Butyric acid, 3,3-bis(3-tert-butyl-4-hydroxyphenyl)ethylene ester
- IUPAC
- 2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]ethyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
- English name
- ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]
- Molecular formula
- C50H66O8
- Molecular weight
- 795.05
Names & synonyms
ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]PLASTIC ADDITIVE 12IRE6XVP1DEINECS 251-073-2EC 251-073-2PLASTIC ADDITIVE 1 [USP-RS]Ethylene bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)ETHYLENE 3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTYRATEBenzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl esterBenzenepropanoic acid, 3-(1,1-dimethylethyl)-beta-(3-(1,1-dimethylethyl)-4-hydroxyphenyl)-4-hydroxy-beta-methyl-, 1,1'-(1,2-ethanediyl) esterBenzenepropanoic acid, 3-(1,1-dimethylethyl)-beta-(3-(1,1-dimethylethyl)-4-hydroxyphenyl)-4-hydroxy-beta-methyl-, 1,2-ethanediyl ester3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)ETHYLENE BUTYRATE
Show more names
Hostanox 03Plastic additive 08 CRSEthylenbis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrat)BIS(3,3-BIS(4-HYDROXY-3-TERT.BUTYLPHENYL)BUTANOICACID),ET.ETHYLENEGLYCOLBIS(3,3-BIS(4-HYDROXY-3-TERT.BUTYLPHENYL)BU.Ethylene Bis[3,3-bis[3-tert-butyl-4-hydroxyphenyl]butanoateBUTYRICACID,3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)ETHYLENEESTER
PLASTIC ADDITIVE 1 (USP-RS)1,2-ETHANEDIYL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTANOATE)ETHYLENE GLYCOL BIS(.BETA.,.BETA.-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)BUTYRATE)BENZENEPROPANOIC ACID, 3-(1,1-DIMETHYLETHYL)-.BETA.-(3-(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)-4-HYDROXY-.BETA.-METHYL-, 1,1'-(1,2-ETHANEDIYL) ESTERBENZENEPROPANOIC ACID, 3-(1,1-DIMETHYLETHYL)-.BETA.-(3-(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)-4-HYDROXY-.BETA.-METHYL-, 1,2-ETHANEDIYL ESTERBenzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) esterRefChem:571892BUTYRIC ACID, 3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)ETHYLENE ESTER
Database identifiers
- CAS
32509-66-3- PubChem CID
- 122891
- DTXSID
DTXSID9052006- UNII
- 2IRE6XVP1D
- EC Number
- 251-073-2
- Nikkaji
- J106.082A
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,170
Experimental & physicochemical properties
Physical DescriptionDry Powder; Large Crystals
Physicochemical properties
- Melting point
- 80 · 80 - 85°C
- Boiling point
- 802.7 · 802.7±60.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.96 · 9.96±0.10(Predicted)
- color
- White to Light Yellow
- Water Solubility
- 500 μg/L · 500μg/L at 20℃
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- JOWXNCPELQZFHF-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1cc(ccc1O)C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(c2)C(C)(C)C)c3ccc(O)c(c3)C(C)(C)C)c4ccc(O)c(c4)C(C)(C)C
- LogP
- 13.7 at · 13.7 at 25℃
- FDA 21 CFR
- 178.201 · 178.2010
- Indirect Additives used in Food Contact Substances
- 3 · BUTYRIC ACID, 3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)ETHYLENE ESTER
- FDA UNII
- 2 IRE6XVP1D · 2IRE6XVP1D
- EPA Substance Registry System
- 3 · Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester (32509-66-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 1 · WGK 1
- TSCA
- TSCA listed
- HS Code
- 2918290000 · 2918290000
- Storage Class
- 13 · 13 - Non Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (60 of 60) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 60 of 60 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 60 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 60 of 60 reports by companies.；There are 0 notifications provided by 0 of 60 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1â²-(1,2-ethanediyl) ester
Regulation (EC) No 1935/2004 (amended)
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28053
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-3-(1,1-dimethylethyl)-4-hydroxyphenyl-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1â²-(1,2-ethanediyl) ester
Regulation (EC) No 1935/2004 (amended)
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28053
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-3-(1,1-dimethylethyl)-4-hydroxyphenyl-4-hydroxy-.beta.-methyl-, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 2918290000
- Storage Class
- 13 - Non Combustible Solids
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 19,144 lb；2022: 37,607 lb；2021: 31,220 lb；2020: 16,878 lb
Industry UsesLubricating agent
General Manufacturing Information
Plastics Product Manufacturing；Plastics Material and Resin Manufacturing；Paint and Coating Manufacturing；Construction
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-.beta.-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-.beta.-methyl-, 1,1'-(1,2-ethanediyl) ester: ACTIVE
Applications
UsesHostanox 03 is commonly used in the stabilization of polymers as its resistant to a high resistance to hydrolysis and high temperatures.
Suppliers18 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
BOC Sciences[email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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