phenol

• ChemBase编号: 2952
• 分子式: C6H6O
• 平均质量: 94.11124
• 单一同位素质量: 94.04186481
• SMILES: Oc1ccccc1
• Canonical SMILES: Oc1ccccc1
• InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
• InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenol
• IUPAC传统名: phenol
• 别名: 苯酚, ACS; Phenol stock solution; Pandy′s reagent; 苯酚 溶液; 羟基苯; 苯酚; 苯酚 溶液; 液状苯酚; 苯酚, 分离晶体; Benzenol; Hydrozybenzene; NSC 36808; Phenol, Glass Distilled Under Argon; Phenol, ACS; Carbolic acid; benzenod; phenylic acid; hydroxybenzend; Hydroxybenzene; PHENOL, ULTRA PURE; Phenol; Phenol stock solution; Phenol solution; Pandy′s reagent; Oxybenzene; Phenic Acid; Phenyl Hydrate; PHENOL ACS REAGENT GRADE; Phenol solution; Phenol; Liquified Phenol; Phenol, detached crystals

登记号

• CAS号: 108-95-2
• EC号: 200-835-2; 203-632-7; 200-659-6
• MDL号: MFCD00002143
• Beilstein号: 6428463; 969616
• 默克索引号: 147241
• PubChem SID: 24849858; 24872221; 24860293; 160966399; 24872095; 24849857; 24854550; 24898492; 24859715; 24887208; 24864936; 24870066; 24899028; 24901564; 24898145; 24898669; 24887209; 24851141; 24898550; 24862085; 24898435; 46508193; 24874429; 24849856
• PubChem CID: 996
• CHEBI ID: 15882
• ATC码: D08AE03; C05BB05; N01BX03; R02AA19
• CHEMBL: 14060
• Chemspider ID: 971
• DrugBank ID: DB03255
• FEMA编号: 3223
• KEGG ID: D06536
• 美国药典/FDA物质标识码: 339NCG44TV
• 维基百科标题: Phenol
• 欧洲委员会编号: 11811
• Flavis Number: 4.041

理论计算性质

JChem

• Acid pKa: 10.01615
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.6696674
• LogD (pH = 7.4): 1.6686368
• Log P: 1.6696805
• 摩尔折射率: 28.0389 cm^3
• 极化性: 10.938309 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.39
• LOG S: -0.31
• 溶解度: 4.66e+01 g/l

分子性质

理化性质

• 溶解度: 8.3 g/100 mL (20 °C) in water; H2O: soluble0.5 M at 20 °C, clear, colorless
• 外观: Crystalline; crystalline (detached); crystalline (loose); faintly yellow cast in container; faintly yellow liquid; liquid; loose crystals; Solid melt; Transparent crystalline solid
• 熔点: 39-41 °C; 39-42 °C; 40.5°C; 40.5°C; 40.5-41.5 °C; 40.9 °C; 40-42 °C; 40-42 °C(lit.); 40-43°C
• 沸点: 180-181 °C; 181 °C; 181.7°C; 181.8 °C at 1013 hPa; 181°C; 182 °C(lit.)
• 闪点: 174 °F; 174.2 °F; 2 °C; 35.6 °F; 79 °C (closed cup); 79 °C; 79°C (174.2°F); 79°C(175°F)
• 自燃点: 1319 °F; 715 °C
• 密度: 1.07 g/cm^3; 1.07 g/mL at 25 °C(lit.); 1.071; 1.071 g/cm^3 at 25 °C; 1.071 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.48; n20/D 1.527; n20/D 1.53
• 蒸汽压: .48 hPa at 20 °C; 0.09 psi ( 55 °C); 0.36 mmHg ( 20 °C)
• 蒸汽密度: 3.24 (vs air)
• 分配系数: Log P(oct) = 1.47
• 紫外吸收波长: 270.75 nm
• pKa: 9.95 (in water),; 29.1 (in acetonitrile)
• 偶极距: 1.7 D
• 气味: Sweet and tarry
• 转变温度: freezing point ≥40.5 °C; solidification point ≥40 °C; solidification point ≥40.5 °C
• pH值: ~7.8(aqueous phase); 3.0-6.0 (25 °C, 0.5 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Air & Light Sensitive; Air Sensitive; Hygroscopic
• RTECS编号: SJ3325000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); Corrosive (C); 易燃性(Flammable) (F); Muta. Cat. 3; 有毒(Toxic) (T); Toxic (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1230; 1648; 1671; 2821; UN1671
• 德国WGK号: 1; 2
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 11-20/21/22-36; 11-23/24/25-39/23/24/25; 23/24/25-34-48/20/21/22-68; 23/24/25-39/23/24/25; R:24/25-34; R23/R24/R25-R34-R48/R20/R21/R22-R68
• 安全公开号: 16-36/37; 24/25-26-28-36/37/39-45; 26-36/37/39-45; 36/37-45; 7-16-36/37-45; S:28-45; S1/2-S24/S25-S26-S28-S36/S37/S39-S45
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  2

  3

  COR
• 爆炸极限: 8.6 %
• GHS危险声明: 301, 311, 314, 331, 341, 373; H225-H302-H312-H319-H332; H301 + H311 + H331-H314-H341-H373; H301-H311-H314-H330-H341-H373; H301-H311-H314-H331-H341-H373; H301-H311-H331-H314-H341-H373; H301-H311-H331-H370
• GHS警示性声明: 261, 280, 301+310, 305+351+338, 310; P210-P280-P305 + P351 + P338; P260-P280-P284-P301 + P310-P305 + P351 + P338-P310; P260-P280-P301 + P310-P311; P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1648 3/PG 2; UN 1671 6.1/PG 2; UN 2821 6.1/PG 2
• 保存温度: 2-8°C; room temp

药理学性质

• 相关基因信息: human ... GABRA1(2554)

产品相关信息

• 纯度: ≥99%; ~73% (T); ~90% (T); ~99%; ≥89.0%; ≥96.0% (calc. on dry substance, T); ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); ≥99.7% (GC); 88.0-92.0% (alkalimetric); 95+%; 99.0-100.5%; 99.0-100.5% (calc. on H2O free substance); 99.5%, unstab.; 99.5-100.5% (GC); 99+%; 99+%, stab.
• 浓度: 100 mg/dL; 100 ng/μL in acetonitrile; 500 μg/mL in methanol; 5000 μg/mL in methanol; in H2O
• 级别: ACS; ACS reagent; analytical standard; for molecular biology; Halal; JIS special grade; Kosher; NI; PESTANAL®, analytical standard; puriss.; puriss. p.a.; purum; REAGENT; reagent grade; ReagentPlus®; SAJ first grade; standard
• 包装: ampule of 1 mL; vial of 1000 mg
• 适用性: complies for identity (USP); corresponds for identity; in accordance for appearance of solution; meets USP testing specifications; suitable for 2001 per NIOSH; suitable for 32 per OSHA; suitable for RNA purification; suitable for TO-8 per EPA - TO
• 燃烧残渣: ≤0.05%
• 蒸发残渣: ≤0.01%; ≤0.05%
• 简要说明: does not contain preservative
• 杂质: ~10% water; ~10%(water); ≤0.0003% heavy metals (as Pb); ≤0.001% heavy metals (as Pb); ≤0.01% non-volatile matter; ≤0.03% non-volatile matter; ≤0.05% m-cresol (GC); ≤0.05% non-volatile matter; ≤0.05% o-cresol (GC); ≤0.05% p-cresol (GC); ≤0.2% water; ≤0.2% water (Karl Fischer); ≤0.3% water (Karl Fischer); ≤0.5% water; ≤2 ppm Mg; ≤5 ppm Pb; 8-11% water (Karl Fischer); acidic reac. Impurities, in accordance; DNases, none detected; insoluble matter, passes filter test; organic volatile impurities, in accordance (GC); phosphatases, none detected; proteases, none detected; residual solvents, complies; RNases, none detected
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤0.0005%; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Cd: ≤0.0005%; Cd: ≤5 mg/kg; Co: ≤0.0005%; Co: ≤5 mg/kg; Cr: ≤0.0005%; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤0.0005%; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤0.0005%; Mn: ≤5 mg/kg; Mo: ≤0.0005%; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; Ni: ≤0.0005%; Ni: ≤5 mg/kg; Pb: ≤0.0005%; Pb: ≤5 mg/kg; Sr: ≤0.0005%; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤5 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 其他组分: ~0.1% 8-hydroxyquinoline as preservative; ~0.15% H3PO2 as antioxidant; ~0.15% hypophosphorous acid as stabilizer; 0.15% H3PO2 as stabilizer; hypophosphorous as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: redistillation
• 品质说明: meets analytical specification of Ph. Eur., BP, USP; TE-saturated
• 灰分: ≤0.05%
• 特征: standard type calibration
• 溶液透明度: passes test
• 产品线: BioUltra
• abs.: absorption0.5M/294 nm, H2O cut-off
• 线性分子式: C6H5OH
• Empirical Formula (Hill Notation): C6H6O

详细说明

MP Biomedicals - 02194011

Molecular Biology Reagent Purity: 99+% Melting Point: 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 04800673

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 04800672

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

MP Biomedicals - 02191423

ACS Reagent Grade
Water: <0.5%

MP Biomedicals - 04818048

m.p. 40.0°C Water: <0.5% Heavy Metals: <0.01% Distilled in glass into argon purged containers to yield a highly purified phenol for critical nucleic acid extractions. Useful for extraction of viral, plasmid and phage DNAs, and to solubilize and dissociate proteins.

DrugBank - DB03255

• Drug Groups: experimental
• Description: An antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. (From Martindale, The Extra Pharmacopoeia, 30th ed, p801)
• External Links: Drugs.com

Sigma Aldrich - P4682

包装
100, 400 mL in glass bottle

Sigma Aldrich - 46344

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

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法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 77608

Other Notes
用于 DNA 制备1；大规模和小规模的苯酚萃取2

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法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

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包装
500 g in glass bottle

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包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in poly drum

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包装
500 g in glass bottle

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Caution
according to temperature, a small quantity of an overlaid aqueous phase may form
General description
saturated with 10 mM TRIS buffer pH 8.0 and 1 mM EDTA
Other Notes
RNA fingerprinting - preparation of the E. coli tRNA carrier1

Sigma Aldrich - P4557

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
For DNA extractions requiring higher pH, includes a separate bottle of equilibration buffer to adjust the phenol phase to pH 7.9 ± 0.2.
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100, 400 mL in glass bottle

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1.5 kg in glass bottle
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包装
在氮气下再次蒸馏并用棕色瓶包装。

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在惰性气体下装瓶

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Suitability
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包装
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法律信息
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包装
100, 500 mL in glass bottle

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Purified for molecular genetics applications.