butan-1-ol

• ChemBase编号: 1905
• 分子式: C4H10O
• 平均质量: 74.1216
• 单一同位素质量: 74.07316494
• SMILES: CCCCO
• Canonical SMILES: CCCCO
• InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
• InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: butan-1-ol
• IUPAC系统名: Butan-1-ol
• IUPAC传统名: butan-1-ol; butanol
• 别名: 1-丁醇; 丁醇; 1-丁醇, 超纯, 光谱级; 1-丁醇, ACS; 1-丁醇,HPLC级; 丁醇; 正丁醇; 1-丁醇; 二氯二甲基硅烷 溶液; 二甲基二氯硅烷 溶液; Sylon CT™; 1-丁醇 溶液; 1-丁醇, 无水; Butyl alcohol; n-Butyl alcohol; 1-Butanol, Ultrapure, Spectrophotometric Grade; 1-Butanol, ACS; 1-Butanol, HPLC Grade; Butan-1-Ol; Butan-1-ol; Butyl hydroxide; 1-Hydroxybutane; propylcarbinol; propylmethanol; N-BUTYL ALCOHOL, HPLC/SPECTRO GRADE; Butyl Alcohol; n-BUTANOL; 1-Butanol; BUTYL ALCOHOL ACS REAGENT GRADE; 1-Butanol; Butalcohol; Butanol; Butyl hydrate; Butylic alcohol; Butyralcohol; Butyric alcohol; Butyryl alcohol; Hydroxybutane; n-Butanol; U - Sylon CT™; 1-Butanol solution; 1-Butanol, anhydrous

登记号

• CAS号: 71-36-3; 75-78-5
• EC号: 200-751-6; 200-659-6
• MDL号: MFCD00002964
• Beilstein号: 969148
• 默克索引号: 141540
• PubChem SID: 24851638; 24867944; 24878258; 24856979; 24861600; 24862161; 46507086; 24892030; 24854470; 24900891; 24859874; 24849460; 160965360; 24900890
• PubChem CID: 263
• CHEBI ID: 28885
• CHEMBL: 14245
• Chemspider ID: 258
• DrugBank ID: DB02145
• FEMA编号: 2178
• Gmelin ID: 25753
• KEGG ID: D03200
• 医学主题词(MeSH): 1-Butanol
• 美国药典/FDA物质标识码: 8PJ61P6TS3
• 维基百科标题: N-Butanol
• 欧洲委员会编号: 52c; 52
• Flavis Number: 2.004

理论计算性质

JChem

• Acid pKa: 16.954258
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.80532193
• LogD (pH = 7.4): 0.80532193
• Log P: 0.80532193
• 摩尔折射率: 22.1349 cm^3
• 极化性: 8.715081 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.84
• LOG S: 0.33
• 溶解度: 1.58e+02 g/l

分子性质

理化性质

• 溶解度: 63.2 mg/mL at 25 oC [TEWARI,YB et al. (1982)]; 73 g L^-1 at 25°C in water
• 外观: APHA: ≤10; Colourless liquid; Liquid
• 熔点: < 88.6 °C; -90 °C(lit.); -90 to -89°C; -90°C; -90°C
• 沸点: 116-118 °C(lit.); 117.7 °C; 117.7 °C; 117-118°C; 118°C
• 闪点: 11 °C; 35 °C (closed cup and NFT 60103); 35 °C; 35°C(95°F); 51.8 °F; 95 °F
• 自燃点: 340 °C; 343 °C; 649 °F
• 密度: .81 g/cm^3 at 21 °C; 0.81 g cm^-3; 0.81 g/mL at 25 °C(lit.); 0.810
• 折射率: 1.399 (20 °C); 1.3990; n20/D 1.399; n20/D 1.399(lit.); n20/D 1.400
• 蒸汽压: .658 hPa at 20 °C; 4 mmHg ( 20 °C); 5.5 mmHg ( 20 °C)
• 蒸汽密度: 2.55 (vs air); 2.6 (air = 1)
• 分配系数: 0.839
• 紫外吸收波长: λ: 220 nm Amax: 1.0; λ: 225 nm Amax: 0.50; λ: 240 nm Amax: 0.10; λ: 260 nm Amax: 0.04; λ: 280-400 nm Amax: 0.01
• 疏水性(logP): 0.88 [HANSCH,C ET AL. (1995)]
• 偶极距: 1.66 D
• 粘度: 3 cP
• 标准摩尔燃烧焓 (ΔcH^o298): -2670(20) kJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -328(4) kJ mol^-1
• 标准摩尔熵 (S^o298): 225.7 J?K^-1?mol^-1
• 感官: medicinal; vanilla
• 透光率: 210 nm, ≥20%; 230 nm, ≥65%; 235 nm, ≥80%; 240 nm, ≥85%; 250 nm, ≥92%; 280 nm, ≥98%

安全信息

• 保存条件: 2-8°C; Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Hygroscopic
• RTECS编号: EO1400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1120; 1230; UN1120
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; 3; III
• 澳大利亚Hazchem: 2Y
• 危险公开号: 10-22-37/38-41-67; 11-23/24/25-39/23/24/25; R:10-22-37/38-41-67; R10, R22, R37/38, R41, R67
• 安全公开号: 7/9-13-26-37/39-46; 7-16-36/37-45; S:16-26-46-37/39-7/9; S2, S7/9, S13, S26, S37/39, S46
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 129
• TSCA收录: 是
• 欧盟危险品索引: 603-004-00-6
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  1

  0
• 爆炸极限: 1.4–11.2%; 11.2 %
• GHS危险声明: H225-H301-H311-H331-H370; H226-H302-H315-H318-H335 + H336; H226-H302-H315-H318-H335-H336; H318-H315-H226-H302-H335-H336
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P260-P280-P301 + P310-P311; P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1120 3/PG 3; UN 1230 3/PG 2
• 保存温度: 2-8°C
• Regulation Compliance: FCC; FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥99%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.4%; ≥99.5%; ≥99.5% (GC); ≥99.7%; ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 99%; 99.0+%; 99.4+%; 99.5%; 99.8%; 99.9%
• 浓度: 2000 μg/mL in methanol
• 级别: ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV® Plus; for HPLC; for molecular biology; HPLC; JIS special grade; Kosher; natural; NI; puriss. p.a.; purum; REAGENT; SAJ first grade; SPECTRANAL™; spectrophotometric grade
• 包装: ampule of 1 mL; ampule of 1000 mg; packaged under Argon in resealable ChemSeal? bottles
• 适用性: passes test for suitability for UV spectroscopy
• 蒸发残渣: <0.0005%; ≤0.0005%; ≤0.003%; ≤0.005%
• 杂质: <0.005% water; <0.01% ketone (as CH3COCH3); ≤0.0008 meq/g Titr. Acid; ≤0.0008 meq/g Titr. acid; ≤0.001% non-volatile matter; ≤0.002% free acid (as C3H7COOH); ≤0.002% non-volatile matter; ≤0.005% Acidity (as Acetic acid); ≤0.005% free acid (as C3H7COOH); ≤0.005% free acid (as CH3COOH); ≤0.01% aldehyde (as C3H7CHO); ≤0.01% butyraldehyde; ≤0.01% n-butylaldehyde; ≤0.020% n-Butyraldehyde; ≤0.03% aldehydes, ketones (as C3H7CHO); ≤0.05 mg/mL Nonvolatile matter; ≤0.05% 2-butanol; ≤0.050% Carbonyl (as C=O); ≤0.1% di-n-butylether; ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.100% Di-n-butyl ether; ≤0.100% Isobutyl alcohol; ≤0.15% iso-butanol; ≤0.2% butyl ether
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; Fe: ≤0.3 ppm; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• λ: H2O reference
• 线性分子式: CH3(CH2)3OH

详细说明

MP Biomedicals - 02193815

ACS Reagent Grade
Purity: >99%

MP Biomedicals - 02194001

Molecular Biology Reagent
Purity: 99+%
Useful for ethidium bromide removal from DNA purified by CsCl gradient ultracentrifugation. It may also be used in the concentration of dilute nucleic acid solutions by repeated extractions. Improved recovery by ethanol precipitation results from increased nucleic acid concentration.

DrugBank - DB02145

Drug information: experimental

Sigma Aldrich - B7906

Application
n-Butanol is useful for the removal of ethidium bromide from DNA purified by CsCl gradient ultracentrifugation. It is also suitable for use in the concentration of dilute nucleic acid solutions by repeated extractions. Increased nucleic acid concentration improves recovery by ethanol precipitation.
包装
500 mL in glass bottle

Sigma Aldrich - 537993

包装
1, 4 L in glass bottle
100 mL in glass bottle
20 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 281549

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 360465

包装
1, 2, 2.5, 4×2.5, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle

Sigma Aldrich - 34867

Application
适用于高效液相色谱法、分光光度法、环境检测
包装
1, 2, 2.5, 4×2.5, 4×4 L in glass bottle
100 mL in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 154679

包装
1, 2 L in glass bottle

Sigma Aldrich - W217808

包装
1 kg in glass bottle
4, 8 kg in steel drum
1 sample in glass bottle
20 kg in comp drum

Sigma Aldrich - W217816

包装
1 kg in glass bottle
1 sample in glass bottle
4, 8 kg in steel drum

Sigma Aldrich - 437603

包装
带聚合物涂层瓶包装

Sigma Aldrich - 34931

法律信息
SPECTRANAL 商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 33065

General description
For deactivating glassware.Treat the glass tubing that you use for columns with Sylon-CT solution (5% dimethyldichlorosilane in toluene). It deactivates the tubing for use up to 350 °C to 400 °C, far exceeding the capabilities of other deactivating agents used at room temperature. Sylon CT™ also deactivates transfer lines and glass or glass-lined injection port liners. Instructions included.
法律信息
Sylon CT 商标 Sigma-Aldrich Co. LLC