HCID8433

Dibenzoylmethane

1,3-diphenylpropane-1,3-dione

C15H12O2224.25 g/molCAS 120-46-7

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IDENTITY

结构与身份

标准SMILES: O=C(CC(=O)c1ccccc1)c1ccccc1
InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N
分子式: C15H12O2
平均分子量: 224.25 g/mol
单同位素质量: 224.08372962

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 243

PROPERTIES

实验与物化性质

Physical Description

Large Crystals; Dry Powder

Solid; [Merck Index] Light yellow crystalline powder; [Alfa Aesar MSDS]

Collision Cross Section

165.9 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041247]；154.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3041247]

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 32.7% (84 of 257) of reports.

Warning

H317 (66.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 257 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 84 of 257 reports by companies.；There are 5 notifications provided by 173 of 257 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.

HAZARDS

危害信息

Regulatory Information

Chemical: 1,3-Propanedione, 1,3-diphenyl-

1,3-Propanedione, 1,3-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanedione, 1,3-diphenyl- 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: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11371

1,3-Propanedione, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

Causes changes in liver and uterine weights in 2-week constant oral studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and Categories

Skin Sens. 1 (66.1%)

REGULATORY

法规信息

Regulatory Information

Chemical: 1,3-Propanedione, 1,3-diphenyl-

Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11371

1,3-Propanedione, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

Uses

Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

U.S. Production

2023: 700,000 - <850,000 lb；2022: 850,000 - <1,000,000 lb；2021: 550,000 - <700,000 lb；2020: 700,000 - <850,000 lb

Consumer Uses

Heat stabilizer；Other

Industry Uses

Processing aids not otherwise specified；Heat stabilizer；Other

Use Classification

Plastics -> Other stabilisers

Plastics -> Polymer Type -> PVC (soft); PVC (rigid); PET

General Manufacturing Information

Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Product Manufacturing

1,3-Propanedione, 1,3-diphenyl-: ACTIVE

ALIASES

名称与别名

共 90 条

Dibenzoylmethane120-46-71,3-Diphenylpropane-1,3-dione1,3-DIPHENYL-1,3-PROPANEDIONE1,3-Propanedione, 1,3-diphenyl-2-BenzoylacetophenonePhenyl phenacyl ketoneomega-BenzoylacetophenoneRhodiastab 83Karenzu DK2DTXSID3041247ANS7ME8OKCNSC-6266DTXCID1021247CHEBI:75417204-398-9RefChem:132859GAMMA-HYDROXYCHALKONE1,3-Diphenyl-propane-1,3-dioneDibenzoyl-methane

REACTIONS