基本情報
- 標準SMILES
COC(=O)C(=O)c1ccccc1- InChIKey
YLHXLHGIAMFFBU-UHFFFAOYSA-N- 分子式
- C9H8O3
- 平均分子量
- 164.16 g/mol
- 単同位体質量
- 164.04734411
名称と識別子
- 優先名称
- Methyl phenylglyoxalate
- IUPAC
- methyl 2-oxo-2-phenylacetate
- 英語名
- methyl 2-oxo-2-phenyl-acetate
- 分子式
- C9H8O3
- 分子量
- 0
名称と別名
名称をさらに表示
データベース識別子
- CAS
15206-55-0、81065-82-9- PubChem CID
- 84835
- DTXSID
DTXSID9065867- ChEBI
CHEBI:84256- UNII
- 23F2045STG
- EC Number
- 239-263-3
- Nikkaji
- J60.885H
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 180
実験および物理化学的性質
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 17.1% (48 of 280) of reports.
Warning
H315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (56.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (26.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (26.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 280 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 48 of 280 reports by companies.;There are 6 notifications provided by 232 of 280 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.
危険有害性情報
Regulatory Information
Chemical: Benzeneacetic acid, .alpha.-oxo-, methyl ester
Benzeneacetic acid, .alpha.-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-oxo-, methyl 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: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16435;Status: Cease Manufacture Update: 18-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6562
Benzeneacetic acid, .alpha.-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
法規制情報
Regulatory Information
Chemical: Benzeneacetic acid, .alpha.-oxo-, methyl ester
Benzeneacetic acid, .alpha.-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-oxo-, methyl 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: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16435;Status: Cease Manufacture Update: 18-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6562
Benzeneacetic acid, .alpha.-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
化学と産業
用途と製造
General Manufacturing Information
Adhesive Manufacturing;Not Known or Reasonably Ascertainable;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Printing Ink Manufacturing
Benzeneacetic acid, .alpha.-oxo-, methyl ester: ACTIVE
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