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正庚醇

正庚醇用途

1-庚醇因其宜人的气味而被用于香料行业。

正庚醇名称

[ CAS 号 ]:
111-70-6

[ 中文名 ]:
正庚醇

[ 英文名 ]:
Heptan-1-ol

[中文别名 ]:

[英文别名 ]:

Gentanol
n-Heptanol
1-Hydroxyheptane
1-Heptanol
Heptyl Alcohol
1-Heptanol,Heptyl alcohol
Enanthic alcohol
EINECS 203-897-9
heptanol
n-Heptyl alcohol

正庚醇生物活性

[ 描述 ]:

1-庚醇因其宜人的气味而被用于香料行业。

[ 相关类别 ]:

研究领域 >> 其他

正庚醇物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
176.9±3.0 °C at 760 mmHg

[ 熔点 ]:
−36 °C(lit.)

[ 分子式 ]:
C₇H₁₆O

[ 分子量 ]:
116.201

[ 闪点 ]:
73.9±0.0 °C

[ 精确质量 ]:
116.120117

[ PSA ]:
20.23000

[ LogP ]:
2.47

[ 外观性状 ]:
无色液体

[ 蒸汽压 ]:
0.3±0.7 mmHg at 25°C

[ 折射率 ]:
1.422

[ 储存条件 ]:
库房通风低温干燥

[ 稳定性 ]:
Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.

[ 水溶解性 ]:
2.85 g/L (100 ºC)

正庚醇MSDS

正庚醇毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MK0350000

CHEMICAL NAME :: Heptyl alcohol

CAS REGISTRY NUMBER :: 111-70-6

BEILSTEIN REFERENCE NO. :: 1731686

LAST UPDATED :: 199803

DATA ITEMS CITED :: 16

MOLECULAR FORMULA :: C7-H16-O

MOLECULAR WEIGHT :: 116.23

WISWESSER LINE NOTATION :: Q7

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - acute pulmonary edema

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1500 mg/kg

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

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6600 mg/m3/2H

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 750 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - acute pulmonary edema

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 6600 mg/m3

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

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 4350 mg/kg

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

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 mg/m3/24/19W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Cardiac - other changes Lungs, Thorax, or Respiration - other changes

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

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 2 mmol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,135,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83568 No. of Facilities: 44 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 1105 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83568 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 17 (estimated)

正庚醇安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H319

[ 警示性声明 ]:
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) ]:
R20/21/22;R36

[ 安全声明 (欧洲) ]:
S36-S36/37/39-S26

[ 危险品运输编码 ]:
2810

[ WGK德国 ]:
1

[ RTECS号 ]:
MK0350000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1(b)

[ 海关编码 ]:
29051900

正庚醇合成路线

正庚醇上下游产品

正庚醇上游产品

正庚醇下游产品

正庚醇制备

1.由正庚醛还原而得。将1.8kg铁屑、3L水和0.45kg庚醛一起搅拌，加热回流6-7h，然后进行水蒸汽蒸馏，约得馏出物7-8L，分出油层，加入1L20%的氢氧庚酯水解。分现油层进行蒸馏，收集172-176℃馏分，可得约350g庚醇。还原反应也可在稀盐酸存在下进行。另外，戊烷与环氧乙烷在无水溴化铝存在下反应，也可制得庚醇。

2.精制方法反复同碱性高锰酸钾溶液一起摇振，直到高锰酸钾的颜色在15分钟内不消失为止，然后用碳酸钾或氧化钙干燥，分馏。

3.烟草：FC，18；FC，40。由铁屑在稀醋酸中还原庚醛制备。

4.制法：

于装有搅拌器、回流冷凝器的12L反应瓶中，加入铁屑1800g(32.2mol),冰醋酸3000mL(52.5mol),水3000mL和庚醛(2)450g(3.95mol),搅拌下蒸汽浴甲热反应6～7h。装上水蒸汽蒸馏装置，水蒸气蒸馏，直至无油状物馏出，约收集7～8L镏出液。分出有机层。水层进行蒸馏以回收其中的少量庚醇-1。合并得到的产物，加入1000mL(20%)的氢氧化钠溶液，于蒸气浴搅拌4h，以水解其中的乙酸正庚酯。分出油层，蒸馏，收集172～176℃的馏分。烧瓶中的剩余物加入100mL水，再进行蒸馏，有少量油状物随水蒸气一起馏出，将其与上面得到的馏分混合，分出其中的水后，再进行蒸馏，收集172～176℃的馏分，得产品(1)350～370g，收率75%～81%。

^5.制法：

于装有搅拌器、回流冷凝器的20L反应瓶中，加入铁屑1.8kg(32.2mol)、冰醋酸3L、水3L、庚醛(2)450g(3.95mol)，搅拌下于蒸汽浴反应6～7h。而后进行水蒸汽蒸馏，直至不再有油滴馏出为止，约收集馏出液7～8L。分出油层。水层再进行蒸馏至无油状物馏出，分出油层。合并油层，加入1000mL(20%)的氢氧化钠溶液，于蒸汽浴搅拌4h，以水解其中的乙酸庚酯。冷后分出油层，蒸馏，收集172～176℃的馏分。剩余物加入水，再进行水蒸汽蒸馏，可回收部分产物。共得产物1-庚醇^①(1)350～370g,收率75%～81%。注：①也可用锌粉代替铁屑进行还原。

正庚醇海关

[ 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%

正庚醇文献

Effect of melatonin and analogues on corneal wound healing: involvement of Mt2 melatonin receptor.

Curr. Eye Res. 40(1) , 56-65, (2014)

We have investigated the effect of melatonin and its analogues on rabbit corneal epithelial wound healing.New Zealand rabbits were anaesthetised and wounds were made by placing Whatman paper discs soa...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

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正庚醇