Basic information
- CAS
65140-91-2- Standard SMILES
CCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ca+2]- InChIKey
SJEZDMHBMZPMME-UHFFFAOYSA-L- Molecular formula
- C34H56CaO8P2
- Average molar mass
- 694.8 g/mol
- Monoisotopic mass
- 694.3076336
Names & identifiers
- Preferred name
- Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
- IUPAC
- calcium bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate)
- English name
- Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
- Molecular formula
- C17H31CaO4P
- Molecular weight
- 370.48
Names & synonyms
calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)EINECS 265-512-09BO934602WEthyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate, calcium saltDTXSID9044249EC 265-512-0Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1)Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1)calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethyl phosphonate)calcium bis(monoethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate)Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)Calcium diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate)
Show more names
ANTIOXIDANT 1425AO- WLAO-1425IRGANOX 1425Sinanox? 1425IRGANOX 1425 WLAntioxidant Sunoxy 1425ylester,calciumsalt(2:1)
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionOther Solid; Dry Powder; CBI
Physicochemical properties
- Density
- 1.21 · 1.21[at 20℃]
- Water Solubility
- 2.4 g/L · 2.4g/L at 20℃
- InChI
- InChI=1S/C17H29O4P.Ca.2H/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;;;/h9-10,18H,8,11H2,1-7H3,(H,19,20);;;
- InChIKey
- RYAZZVCANHQMQT-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=1)P(O)(=O)OCC.[Ca]
- LogP
- -0.1 at · -0.1 at 23℃
- Indirect Additives used in Food Contact Substances
- CALCIUM BIS(MONOETHYL(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)PHOSPHONATE)
- CAS DataBase Reference
- 65140 · 65140-91-2(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (13 of 184) of reports.
Warning
H335 (92.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 184 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)
Hazard Traits - Bioaccumulation; Environmental Persistence
Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1) 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)
REACH registered substance: Calcium diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate] (EC: 265-512-0)
Phosphonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethyl-, monoethyl ester, calcium salt (2:1): Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1): Human health tier I assessment
Hazard Classes and CategoriesSTOT SE 3 (92.4%)
Safety data
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesOther
Industry UsesStabilizing agent
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1): ACTIVE
Applications
UsesCalcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) is a versatile structural unit used as a reagent in organic synthesis. It is a useful scaffold for the preparation of complex compounds and fine chemicals. It is important in the synthesis of the antioxidant 1425 and in the preparation of thermoplastic polymer compositions.
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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