α,α'-ジヒドロキシ-1,4-ジイソプロピルベンゼン

p-Bis(2-hydroxyisopropyl)benzene

HCID 18062CAS 2948-46-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(O)c1ccc(C(C)(C)O)cc1
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
分子式: C12H18O2
平均分子量: 194.27 g/mol
単同位体質量: 194.13067982

名称と識別子

優先名称: p-Bis(2-hydroxyisopropyl)benzene
IUPAC: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
現地名: α,α'-ジヒドロキシ-1,4-ジイソプロピルベンゼン
英語名: 1,4-BIS(1-METHYL-1-HYDROXYETHYL)BENZENE
分子式: C12H18O2
分子量: 194.27

名称と別名

2948-46-11,4-Bis(2-hydroxy-2-propyl)benzenealpha,alpha,alpha',alpha'-Tetramethyl-1,4-benzenedimethanolP-BIS(2-HYDROXYISOPROPYL)BENZENEG785DRB5XHDTXSID7029247HSDB 5907p-Bis(alpha-hydroxyisopropyl)benzeneEINECS 220-964-8alpha,alpha'-Dihydroxy-p-diisopropylbenzenealpha,alpha,alpha',alpha'-Tetramethyl-p-xylylenediolalpha,alpha,alpha',alpha'-Tetramethyl-p-benzenedimethanol

名称をさらに表示

α,α'-ジヒドロキシ-1,4-ジイソプロピルベンゼン2,2'-(p-フェニレン)ジ(2-プロパノール)1,4-ビス(1-ヒドロキシ-1-メチルエチル)ベンゼンα,α,α',α'-テトラメチルベンゼン-1,4-ジメタノール1,1'-(1,4-フェニレン)ビス(1-メチルエタノール)α,α,α',α'-テトラメチル-1,4-ベンゼンジメタノール1,4-ビス(1-メチル-1-ヒドロキシエチル)ベンゼン2,2'-(1,4-フェニレン)ビス(2-プロパノール)1,4-ビス(α-ヒドロキシイソプロピル)ベンゼン2,2'-(p-フェニレン)ジ-2-プロパノール1,4-ビス(2-ヒドロキシイソプロピル)ベンゼンDicumyl alcoholTIMTEC-BB SBB0078061,4-Bis(2-propanol)benzene2,2'-(P-PHENYLENE)DI-2-PROPANOL1,4-bis(hydroxyisopropyl)benzene1,4-Di(2-hydroxy-2-propyl)benzene'-Dihydroxy-1,4-diisopropylbenzene1,4-Bis(2-hydroxyisopropyl)benzene

DTXCID3092471,4-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-p-Xylene-alpha,alpha'-diol, alpha,alpha,alpha',alpha'-tetramethyl-1,4-Benzenedimethanol, alpha1,alpha1,alpha4,alpha4-tetramethyl-P-BIS(2-HYDROXYISOPROPYL)BENZENE [HSDB]RefChem:8579981,4Bis(2hydroxy2propyl)benzenepBis(alphahydroxyisopropyl)benzene

データベース識別子

CAS: 2948-46-1
PubChem CID: 18062
DTXSID: DTXSID7029247
ChEMBL: CHEMBL3187761
UNII: G785DRB5XH
EC Number: 220-964-8
Nikkaji: J28.515C

物性

構造計算による物性

XLogP: 1.3
極性表面積: 40.5 Å²
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: 14
形式電荷: 0
複雑度: 166

実験および物理化学的性質

Chemical ClassesIndustrial compound

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionSolid; [MSDSonline]

物理化学的性質

融点: 144 · 144-146 °C (lit.)
沸点: 167 · 167-168 °C/12 mmHg (lit.)
比重(密度): 1.001 · 1.0010 (rough estimate)
屈折率: 1.505 · 1.5050 (estimate)
闪点: 167 · 167-168°C/12mm
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 14.25 · 14.25±0.29(Predicted)
色: White to Light yellow
水溶解度: 水にわずかに溶ける (2.1 g/L) (25°C)。
InChI: InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
SMILES: C(O)(C)(C)C1C=CC(C(O)(C)C)=CC=1
CAS データベース: 2948 · 2948-46-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,4-Bis(2-hydroxy-2-propyl)benzene (2948-46-1)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2906290090
risk_code: 36/37/38
化審法: (3)-3620
hazard_code: Xi
safety_code: 26-36/37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 2948-46-1(Hazardous Substances Data)

化学と産業

用途と製造

General Manufacturing Information1,4-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.4,.alpha.4-tetramethyl-: ACTIVE

応用分野

使用1,4-Bis(2-hydroxyisopropyl)benzene is used as a pharmaceutical intermediate.

サプライヤー50 社

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]