基本情報
- CAS
3188-83-8- 標準SMILES
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c(CO)c1- InChIKey
KKMOOTHADALRAT-UHFFFAOYSA-N- 分子式
- C22H26O5
- 平均分子量
- 370.4 g/mol
- 単同位体質量
- 370.17802393
名称と識別子
- 優先名称
- 5-(1-Methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)-2-(oxiranylmethoxy)benzyl alcohol
- IUPAC
- [2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methanol
- 現地名
- 5-[1-メチル-1-[4-(オキシラニルメトキシ)フェニル]エチル]-2-(オキシラニルメトキシ)ベンゼンメタノール
- 英語名
- 5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)benzyl alcohol
- 分子式
- C22H26O5
- 分子量
- 370.44
名称と別名
DTXSID008839165-[1-METHYL-1-[4-(OXIRANYLMETHOXY)PHENYL]ETHYL]-2-(OXIRANYLMETHOXY)BENZYL ALCOHOLBenzenemethanol, 5-(1-methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)-2-(oxiranylmethoxy)-5-(1-Methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)-2-(oxiranylmethoxy)benzyl alcoholBenzenemethanol, 5-(1-methyl-1-(4-(2-oxiranylmethoxy)phenyl)ethyl)-2-(2-oxiranylmethoxy)-Benzenemethanol, 5-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]-2-(2-oxiranylmethoxy)-Benzenemethanol, 5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)-RefChem:529001DTXCID401023398221-688-03188-83-82-Methylol-4,4'-isopropylidenediphenol diglycidyl ether
名称をさらに表示
5-[1-メチル-1-[4-(オキシラニルメトキシ)フェニル]エチル]-2-(オキシラニルメトキシ)ベンゼンメタノール{2-[(オキシラン-2-イル)メトキシ]-5-(2-{4-[(オキシラン-2-イル)メトキシ]フェニル}プロパン-2-イル)フェニル}メタノール2METHYLOL44ISOPROPYLIDENEDIPHENOLDIGLYCIDYLETHER5-[1-Methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)benzenemethanol
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 63.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 9
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 473
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- EPAの化学物質情報
- 2 · 2-Methylol-4,4'-isopropylidenediphenol diglycidyl ether (3188-83-8)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenemethanol, 5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)-
Benzenemethanol, 5-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]-2-(2-oxiranylmethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, 5-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]-2-(2-oxiranylmethoxy)- 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)
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)benzyl alcohol: 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.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenemethanol, 5-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]-2-(2-oxiranylmethoxy)-: ACTIVE
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