Benzoylstearoylmethane
Basic information
- CAS
58446-52-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1- InChIKey
LRQGFQDEQPZDQC-UHFFFAOYSA-N- Molecular formula
- C26H42O2
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.31848058
Overview
1-Phenyl-1,3-eicosanedione is an aromatic ketone.
Names & identifiers
- Preferred name
- Benzoylstearoylmethane
- IUPAC
- 1-phenylicosane-1,3-dione
- English name
- Stearoylbenzoylmethane
- Molecular formula
- C26H42O2
- Molecular weight
- 386.61
Names & synonyms
1-phenylicosane-1,3-dione58446-52-9StearoylbenzoylmethanePhenylicosane-1,3-dioneBenzoylstearoyl methane1,3-Eicosanedione, 1-phenyl-1-Phenyl-1,3-eicosanedioneBenzoylstearoylmethane07BOC4UG1XSTEARYL BENZOYL METHANERHODIASTAB 50EINECS 261-257-4
Show more names
SBMSTEAROYL BENZOYL METHANESbm-50HS-50FAFAR HS-50Organic antiMonyStearoylbenzoylmetha
KARENZ DK 1DTXSID1052246.BETA.-STEAROYLACETOPHENONE1-PHENYLEICOSANE-1,3-DIONEAD 157RefChem:566481BETA-STEAROYLACETOPHENONEDTXCID6030817
Database identifiers
- CAS
58446-52-9- PubChem CID
- 94050
- DTXSID
DTXSID1052246- ChEBI
CHEBI:169186- UNII
- 07BOC4UG1X
- EC Number
- 261-257-4
- Nikkaji
- J202.678C
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 382
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 DescriptionLiquid; Dry Powder
Physicochemical properties
- Melting point
- 56 °C · 56°C
- Boiling point
- 493.4 · 493.4±18.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.87 · 8.87±0.23(Predicted)
- CAS DataBase Reference
- 58446 · 58446-52-9(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- 1 · 1-PHENYL-1,3-EICOSANEDIONE
- FDA 21 CFR
- 178.201 · 178.2010
- FDA UNII
- 7 BOC4UG1X · 07BOC4UG1X
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 98.4% (62 of 63) of all reports.
Not Classified
Aggregated GHS information provided per 63 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Eicosanedione, 1-phenyl-
1,3-Eicosanedione, 1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Eicosanedione, 1-phenyl- 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)
1,3-Eicosanedione, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesHeat stabilizer
Industry UsesHeat stabilizer
General Manufacturing Information
Plastics Product Manufacturing
1,3-Eicosanedione, 1-phenyl-: ACTIVE
Applications
DescriptionStearyl Benzoylmethane has high transmittance, non-toxic and tasteless; and solid or liquid calcium / zinc, barium / zinc and other heat stabilizer and can greatlyimprove the initial coloring of PVC, transparency, long-term stability, and processing In the precipitation and “zinc burning” and so on; it ischaracterized by zinc soap has a good synergistic effect, the formula added to the product can effectively inhibit the “zinc burn”, suitable for hard, non-toxic, odorless areas of implementation, promote calcium / Zinc composite stabilizer replacement, widely used in medical, food packaging and other non-toxic transparent PVC products (such as PVC bottles, sheet, transparent film, etc.).
UsesStearoyl benzoyl methane can greatly improve initial coloring performance of PVC, transparency, and long-term stability if it is used with solid or liquid calcium/zinc, barium/zinc and other heat stabilizers. It is widely used in non-toxic and transparent PVC products such as pharmaceutical and food packages.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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