2,2-ビス(4-ヒドロキシ-3,5-ジメチルフェニル)プロパン

4,4'-Isopropylidenedi-2,6-xylol

HCID 79717CAS 5613-46-7
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
分子式
C19H24O2
平均分子量
284.4 g/mol
単同位体質量
284.17763001

名称と識別子

優先名称
4,4'-Isopropylidenedi-2,6-xylol
IUPAC
4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
現地名
2,2-ビス(4-ヒドロキシ-3,5-ジメチルフェニル)プロパン
英語名
2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
分子式
C19H24O2
分子量
284.39

名称と別名

4,4'-Isopropylidenedi-2,6-xylolRefChem:506703227-033-55613-46-72,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)tetramethyl bisphenol ATetramethylbisphenol A4,4'-propane-2,2-diylbis(2,6-dimethylphenol)4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propaneMFCD00068238
名称をさらに表示
2,2-ビス(4-ヒドロキシ-3,5-ジメチルフェニル)プロパン4,4'-(ジメチルメチレン)ビス(2,6-ジメチルフェノール)4,4'-イソプロピリデンビス(2,6-ジメチルフェノール)4,4'-イソプロピリデンビス(2,6-ジメチル-フェノール)テトラメチルビスフェノールA4,4'-(1-メチルエチリデン)ビス(2,6-ジメチルフェノール)4,4'-(プロパン-2,2-ジイル)ビス(2,6-ジメチルフェノール)2,2-ビス(3,5-ジメチル-4-ヒドロキシフェニル)プロパン4-[1-(4-ヒドロキシ-3,5-ジメチルフェニル)-1-メチルエチル]-2,6-ジメチルフェノールNsc73730Bisxylenol ALABOTEST-BB LT00159397Adrenaline Impurity 54bisphenol a, tetramethyl4,4-isopropylidenedi-2,6-xylol3,3’,5,5'-tetramethylbisphenol A4,4'-Isopropylidenedi-2,6-xylenol
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-TetramethylbisphenolADTXSID80479734-[1-(4-Hydroxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenol4,4'-Isopropylidenebis(2,6-dimethylphenol)NSC 73730bis(2,6-dimethylphenol), 2DTXCID4027949

データベース識別子

CAS
5613-46-7
PubChem CID
79717
DTXSID
DTXSID8047973
ChEMBL
CHEMBL480406
EC Number
227-033-5
Nikkaji
J225.054C

物性

構造計算による物性

XLogP
5.5
極性表面積
40.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
21

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047973]

物理化学的性質

融点
162 · 162-165 °C (lit.)
沸点
420.6 · 420.6±40.0 °C(Predicted)
比重(密度)
1.074 · 1.074±0.06 g/cm3(Predicted)
蒸気圧
0 Pa · 0Pa at 20℃
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム（微量）、メタノール（微量）

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-

Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29072990
risk_code
36/37/38
化審法
(4)-214
hazard_code
Xi

化学と産業

用途と製造

U.S. Production2022: 147,840 lb
Industry UsesFlame retardant
General Manufacturing Information · 2 件

Plastics Product Manufacturing

Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-: ACTIVE

応用分野

用途合成樹脂添加剤、液晶原料、感光剤、情報記録剤。

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]

関連反応

7 件
反応記録を作成

関連ノート

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