正庚醛

正庚醛用途

【用途一】
用于有机合成及庚醇制备
【用途二】
用于有机合成和合成香料
【用途三】
GB 2760～96规定为暂时允许使用的食用香料。主要用于配制柑橘类、蔬菜类和瓜类香精。
【用途四】
庚醛是合成香料的重要原料，可用于制取庚醇、庚酸酯类等。庚醛与苯甲醛在水、醇溶液中缩合可得茉莉醛。庚醛与原甲酸三乙酯在酸性催化剂存在下反应，可制得庚醛二乙缩醛（[688-82-4]）。茉利醛和庚醛二乙缩醛都是香料，用于配制香水香精。也是制药、有机合成及橡胶制品的原料。
【用途五】
庚醛（111-71-7）是制备素馨醛，α-戊基肉桂醛的原料药

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正庚醛名称

[ CAS 号 ]:
111-71-7

[ 中文名 ]:
庚醛

[ 英文名 ]:
Heptanal

[中文别名 ]:

[英文别名 ]:

Heptanal
heptylaldehyde
FEMA 2540
ENANTHAL
FEMA 2541
FEMA 2542
Enanthole
Oenanthal
enantaldehyde
n-heptanal

正庚醛物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
150.4±3.0 °C at 760 mmHg

[ 熔点 ]:
−43 °C(lit.)

[ 分子式 ]:
C₇H₁₄O

[ 分子量 ]:
114.186

[ 闪点 ]:
35.0±0.0 °C

[ 精确质量 ]:
114.104462

[ PSA ]:
17.07000

[ LogP ]:
2.50

[ 外观性状 ]:
透明油性液体带有新鲜的,绿色,甜的草本的气味

[ 蒸汽压 ]:
3.9±0.3 mmHg at 25°C

[ 折射率 ]:
1.405

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable. May be light sensitive. Flammable - readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

[ 水溶解性 ]:
insoluble

正庚醛MSDS

详细MSDS(安全技术说明书)

正庚醛毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI6900000

CHEMICAL NAME :: Heptanal

CAS REGISTRY NUMBER :: 111-71-7

BEILSTEIN REFERENCE NO. :: 1560236

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C7-H14-O

MOLECULAR WEIGHT :: 114.21

WISWESSER LINE NOTATION :: VH6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534460 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >18400 mg/m3/4H

TOXIC EFFECTS :: Behavioral - excitement Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534501

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534465 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 gm/kg/2W-I

TOXIC EFFECTS :: Behavioral - wakefulness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534459 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83200 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 373 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83200 No. of Facilities: 1837 (estimated) No. of Industries: 33 No. of Occupations: 29 No. of Employees: 42935 (estimated) No. of Female Employees: 9290 (estimated)

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正庚醛安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H315

[ 警示性声明 ]:
P403 + P235

[ 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) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R10;R38

[ 安全声明 (欧洲) ]:
S26-S36-S37-S16-S61-S60

[ 危险品运输编码 ]:
UN 3056 3/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
MI6900000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

[ 海关编码 ]:
2912190090

正庚醛合成路线

详细合成路线

正庚醛上下游产品

正庚醛上游产品

正庚醛下游产品

正庚醛制备

1.庚醛含于玫瑰油和紫苏油里，1845年首次用蓖麻油热解合成出来。蓖麻油中含有蓖麻酸甘油酯，在固体苛性钾存在下于室温用甲醇醇解得到蓖麻酸甲酯。用硫酸酸化反应产物，蒸出甲醇，分出甘渍层，用水洗涤得到蓖麻酸甲酯。将其在450-500℃，0.05-0.07MPa下于热解炉中进行裂解，即得十一烯酸甲酯和庚醛。将热解产物同树脂物分开，并进行真空精馏，分离得到十一烯酸甲酯（香料重要中间体十一烯酸的原料）以及庚醛。庚醛用亚硫酸氢钠和碳酸钠提纯得到含量≥88%的纯品,每吨庚醛需消耗蓖麻油约5.5t。

2.由庚醇氧化或蓖麻油裂解得到。

3.制法：

三氧化铬-吡啶的制备：于装有搅拌器、温度计、干燥管的干燥的反应瓶中，加入500mL无水吡啶^①，冰水浴冷却至15℃，搅拌下于15min分批加入无水三氯化铬②68g（0.56mol），注意加入时反应液的温度不超过20℃。加入过程中析出深黄色絮状沉淀，且混合物的粘度增大。加完后继续搅拌下升至室温，1h内粘度减小，黄色产物为深红色结晶。静置，倾去吡啶，以无水石油洗涤三次。抽滤，石油醚洗涤，真空干燥，得三氧化铬-吡啶150～160g，置于棕色瓶中于0℃贮存。庚醛（1）：于装有搅拌器的反应瓶中，加入无水二氯甲烷650mL，搅拌下室温加入三氧化铬-吡啶复合物77.5g（0.3mol），而后一次加入正庚醇（2）5.8g（0.05mol），约20min后，从不溶的棕色胶状物中倾出上清液，不溶的残渣用乙醚洗涤三次。合并二氯甲烷与乙醚层，依次用5%的氢氧化钠、5%的盐酸、饱和碳酸钠、饱和食盐水洗涤，无水硫酸镁干燥。蒸出溶剂后减压蒸馏，收集80～84℃/8.65kPa的馏分，得庚醛^③（1）4～4.8g，收率70%～84%。注：①用固体氢氧化钾干燥后重蒸一次即可使用。②将三氧化铬于盛有五氧化二磷的真空干燥器中干燥后使用。③这是由醇制备醛的方法之一。用三氧化铬-吡啶复合物作氧化剂由醇制备醛的一般方法如下：首先配置5%的三氧化铬-吡啶的无水二氯甲烷溶液（深红色），使复合物与醇的摩尔比6:1。氧化剂过量是为了将醇完全氧化为醛。搅拌下于室温将醇一次加入到上述深红色溶液中，无立体阻碍的伯醇或仲醇于25℃在5～15min内即可完全反应，同时析出棕黑色的三氧化铬-吡啶的还原产物。将上清液倾出，沉淀用二氯甲烷充分洗涤。合并二氯甲烷溶液，依次用稀盐酸、碳酸氢钠、水等洗涤以除去吡啶和铬盐，或者直接用助滤剂过滤、或者用色谱柱分离，蒸出溶剂，即可得到相应的产物。

4.制法：

于装有搅拌器、温度计的反应瓶中，加入11g对甲基苯磺酸银^①溶于100mL乙腈的溶液，冷至0～5℃，加入1-碘庚烷（2）7.0g（31mmol），避光室温搅拌反应过夜。将反应物倒入冰水中，乙醚提取。乙醚层干燥后指出溶剂，得到油状物。于另一反应瓶中加入碳酸氢钠20g，DMSO150mL，通入氮气，使不断鼓泡。加入上述油状物，加热至150℃（有时冒烟）。3min后迅速冷至室温。将生成的醛与2,4-二硝基苯肼反应生成相应的苯腙，得到苯腙6.9g，收率70%，mp106～107℃。标准样品混合，混合熔点不变。注：①其制备方法为：将等摩尔的氧化银与对甲苯磺酸一水合物加入乙腈中，避光搅拌反应30min，过滤。蒸出乙腈，于65℃干燥，备用。

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正庚醛海关

[ 海关编码 ]: 2912190090

[ 中文概述 ]:
HS: 2912190090. 其他无环醛（不含其他含氧基）. 增值税率:17.0%. 退税率:9.0%. 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, 四聚甲醛报明外观

[ Summary ]:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

正庚醛文献

Mosquito odorant receptor for DEET and methyl jasmonate.

Proc. Natl. Acad. Sci. U. S. A. 111(46) , 16592-7, (2014)

Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbe...

Chilling-related cell damage of apple (Malus × domestica Borkh.) fruit cortical tissue impacts antioxidant, lipid and phenolic metabolism.

Physiol. Plant. 153(2) , 204-20, (2015)

'Soggy breakdown' (SB) is an internal flesh disorder of 'Honeycrisp' apple (Malus × domestica Borkh.) fruit that occurs during low temperature storage. The disorder is a chilling injury (CI) in which ...

Comparison of Aroma-Active Volatiles in Oolong Tea Infusions Using GC-Olfactometry, GC-FPD, and GC-MS.

J. Agric. Food Chem. 63 , 7499-510, (2015)

The aroma profile of oolong tea infusions (Dongdingwulong, DDWL; Tieguanyin, TGY; Dahongpao, DHP) were investigated in this study. Gas chromatography-olfactometry (GC-O) with the method of aroma inten...

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正庚醛

正庚醛用途

正庚醛名称

正庚醛物理化学性质

正庚醛MSDS

详细MSDS(安全技术说明书)

正庚醛毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

正庚醛安全信息

正庚醛合成路线

详细合成路线

正庚醛上下游产品

正庚醛上游产品

正庚醛下游产品

正庚醛制备

正庚醛海关

正庚醛文献

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