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正己醇

正己醇用途

1-Hexanol 是一种伯醇,是一种表面活性剂,可用于工业过程中以增强界面性能。1-Hexanol 通过非质子机制解偶联线粒体呼吸。

正己醇名称

[ CAS 号 ]:
111-27-3

[ 中文名 ]:
正己醇

[ 英文名 ]:
1-Hexanol

[中文别名 ]:

[英文别名 ]:

n-hexanol
n-C6H13OH
n-Hexan-1-ol
n-Hexenol
UNII-6CP2QER8GS
Q6
hexan-1
Caproyl alcohol
1-hexyl alcohol
EINECS 203-852-3

正己醇生物活性

[ 描述 ]:

1-Hexanol 是一种伯醇,是一种表面活性剂,可用于工业过程中以增强界面性能。1-Hexanol 通过非质子机制解偶联线粒体呼吸。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Cuong V Nguyen, et al. Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. J Phys Chem B. 2013 Jun 27;117(25):7615-20.

[2]. M Canton, et al. The nature of uncoupling by n-hexane, 1-hexanethiol and 1-hexanol in rat liver mitochondria. Biochim Biophys Acta. 1996 May 20;1274(1-2):39-47.

正己醇物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
158.2±3.0 °C at 760 mmHg

[ 熔点 ]:
−52 °C(lit.)

[ 分子式 ]:
C₆H₁₄O

[ 分子量 ]:
102.175

[ 闪点 ]:
60.0±0.0 °C

[ 精确质量 ]:
102.104462

[ PSA ]:
20.23000

[ LogP ]:
1.94

[ 外观性状 ]:
透明无色液体带有一种水果的气味

[ 蒸汽密度 ]:
4.5 (vs air)

[ 蒸汽压 ]:
0.9±0.6 mmHg at 25°C

[ 折射率 ]:
1.416

[ 储存条件 ]:
包装完整、轻装轻卸,库房通风、远离明火、高温、与氧化剂分开存放

[ 稳定性 ]:
Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.

[ 水溶解性 ]:
6 g/L (25 ºC)

正己醇MSDS

正己醇毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MQ4025000

CHEMICAL NAME :: Hexyl alcohol

CAS REGISTRY NUMBER :: 111-27-3

BEILSTEIN REFERENCE NO. :: 0969167

LAST UPDATED :: 199806

DATA ITEMS CITED :: 18

MOLECULAR FORMULA :: C6-H14-O

MOLECULAR WEIGHT :: 102.20

WISWESSER LINE NOTATION :: Q6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/21/1967 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 720 mg/kg

TOXIC EFFECTS :: Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Blood - other changes

REFERENCE :: SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 43,795,1969

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1950 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),310,1966

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 103 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 135,330,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3100 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1060 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,695,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 2442 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 101 gm/kg/3W-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 10,379,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18450 mg/kg/30W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - sensory change involving peripheral nerve

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 46,421,1978

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9100 mg/kg/26W-I

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),310,1966 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0244 No. of Facilities: 3205 (estimated) No. of Industries: 12 No. of Occupations: 22 No. of Employees: 20684 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0244 No. of Facilities: 1126 (estimated) No. of Industries: 23 No. of Occupations: 34 No. of Employees: 27055 (estimated) No. of Female Employees: 8574 (estimated)

正己醇安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H302 + H312-H319

[ 警示性声明 ]:
P280-P305 + P351 + P338

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R22

[ 安全声明 (欧洲) ]:
S24/25

[ 危险品运输编码 ]:
UN 2282 3/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
MQ4025000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

[ 海关编码 ]:
2905199090

正己醇合成路线

正己醇上下游产品

正己醇上游产品

正己醇下游产品

正己醇制备

1.工业上一般由己酸还原而得。实验室制备可由溴丁烷与镁屑反应得到丁基溴化镁，再与环氧乙烷反应得到己醇。

2.精制方法己醇中常含有其他的醇，分离困难。较好的方法是用对羟基苯甲酸进行酯化，将酯重结晶后，皂化，分去水层，用碳酸钾或硫酸钙干燥，蒸馏。若需要无水己醇，可将其与邻苯二甲酸二己酯或丁二酸二己酯回流后再蒸馏的方法精制。若需要高纯度的己醇，最好选择能避免生成同系物的合成方法，例如格利雅试剂合成法。

3.以己酸乙酯为原料，在无水乙醇中用金属钠进行还原，所得产物为正己醇和乙醇，经精馏分离可得纯
品正己醇。
4.在催化剂碘的存在下，使溴丁烷的无水乙醚溶液与镁屑在搅拌下进行反应，反应过程中必须做到回流和无水，控制溴丁烷  无水乙醚滴加速度，使反应液不断沸腾，待滴加完毕后，通入环氧乙烷，冷却状态下，控制通入速度，以维持反应温度在10℃。通入完毕后，停止冷却，使反应体系温度略为升高，以产生轻微沸腾。沸腾结束后，水浴加热反应物，当蒸出乙醚总量一半时，加入适量干燥苯，搅拌并继续蒸馏至蒸气温度达65℃，然后全回流至混合物粘稠，冷却后，加入适量冰水进行水解，并且边冷却边加入30%的硫酸至沉淀出的氢氧化镁完全溶解。然后进行水蒸气蒸馏，分水的油层中加入20%的氢氧化钠，蒸汽浴加热，搅拌1～2h后，再进行水蒸气蒸馏，所得油层进行蒸馏，收集的85～154℃馏分再
蒸馏，收集154～157℃ 馏分，即为成品。过程反应式为：

5. 烟草：BU，56；FC，40。

6.制法：

于装有搅拌器、滴液漏斗、温度计、通气导管的反应瓶中，加入100mL二乙二醇，3.14g(0.09mol,过量20%)粉状的硼氢化钠，慢慢通入氮气，搅拌使之溶解。而后加入1-己烯(2)25.2g(0.3mol)溶于50mL干燥的二乙二醇溶液。冰水浴冷却下，由滴液漏斗滴加三氟化硼的乙醚溶液17.0g(48%质量分数，过量20%)，不断缓慢通入氮气。滴加过程中，保持反应液温度在20～25℃。加完后继续搅拌反应1h，以使反应完全。由滴液漏斗滴加20mL冷水，分解过量的硼氢化物，有大量氢气逸出。待无氢气逸出时，于滴液漏斗中加入30%的过氧化氢40mL。由冷凝器顶端加入40mL(3mol/L)的氢氧化钠溶液，于30～50℃滴加过氧化氢，约0.5h加完，继续于室温反应1h。将反应物倒入250mL冰水中，用乙醚提取(200mL×2),合并有机层，用水充分洗涤(洗涤8次)以除去二乙二，硫酸镁干燥，蒸出溶剂乙醚。而后分离，收集154～157℃的馏分。其中约含有6%的2-己醇，质量24g，收率80%。用高效分离柱分离可得到纯品。1-己醇(1)和2-己醇的沸点分别为155 ～156℃和137～138℃。

7.制法：

于装有搅拌器、温度计、回流冷凝器(装一只氯化钙干燥管)、滴液漏斗的干燥的反应瓶中，加入镁条37.5g(1.54mol),一小粒结晶碘。滴液漏斗中加入162mL溴丁烷(205.5g,,1.5mol)和300mL干燥的乙醚，混合均匀。先滴加约30mL的混合液至反应瓶中，温水加热，带反应开始后，碘的盐酸逐渐消失。保持微沸状态下滴加其余的混合液。加完后继续加热回流直至镁基本消失。生成溴化丁基镁。冰盐浴冷却，撤去滴液漏斗，安上通气导管至液面以下。慢慢通入环氧乙烷(2)^①90g（2.02mol），约2h通完，控制反应液温度不超过10℃。而后撤去冰盐浴，自然升温直至沸腾，并水浴加入回流0.5h。冷却，改为蒸馏装置，蒸出大部分乙醚。加入用金属钠干燥的苯250mL，更换接收器，继续蒸馏，直至蒸汽温度达到65℃。反应体系变得很粘稠，甚至不能搅拌。冷却，加入500g冰水混合物，再用30%的硫酸溶液生成的氢氧化镁。水蒸汽蒸馏，收集大约2L的馏出液。分出油层。水层再进行水蒸汽蒸馏，直至无油状物馏出。合并油状物，加入250mL20%的氢氧化钠溶液，重新水蒸汽蒸馏。油状物用无水磷酸钙干燥，分馏，收集154～157℃的馏分，得1-己醇(1)90g,收率59%。注：①环氧乙烷的沸点为10.5℃，高度挥发性，且毒性大，使用时必须在通风橱中进行，注意安全。

正己醇海关

[ 海关编码 ]: 2905199090

[ 中文概述 ]:
2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 包装

[ Summary ]:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

正己醇文献

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Hibiscus sabdariffa L. is a worldwide consumed plant, principally after infusion of its dried sepals and calyces, which are usually discarded. Nevertheless, they represent a potential source of natura...

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正己醇