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庚酸

庚酸用途

主要用于生产庚酸酯，作为香料
有机合成。用于生产庚酸酯类产品，作香料的原料。抗霉菌药。

庚酸名称

[ CAS 号 ]:
111-14-8

[ 中文名 ]:
庚酸

[ 英文名 ]:
n-heptanoic acid

[中文别名 ]:

正庚酸

[英文别名 ]:

hexane-6-carboxyamide
Enanthylic acid
Heptylic acid
Enanthyl alcohol
n-Heptoic acid
1-heptanoic acid
Heptoic acid
enanthic acid
Oenanthic acid
hexa carboxylic acid

庚酸物理化学性质

[ 密度 ]:
0.9±0.1 g/cm3

[ 沸点 ]:
222.6±3.0 °C at 760 mmHg

[ 熔点 ]:
-10.5 °C

[ 分子式 ]:
C₇H₁₄O₂

[ 分子量 ]:
130.185

[ 闪点 ]:
99.2±11.9 °C

[ 精确质量 ]:
130.099380

[ PSA ]:
37.30000

[ LogP ]:
2.37

[ 外观性状 ]:
透明至淡黄色液体

[ 蒸汽密度 ]:
4.5 (vs air)

[ 蒸汽压 ]:
0.1±0.5 mmHg at 25°C

[ 折射率 ]:
1.433

[ 储存条件 ]:
室温

[ 稳定性 ]:
Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.

[ 水溶解性 ]:
0.24 g/100 mL (15 ºC)

庚酸MSDS

庚酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ1575000

CHEMICAL NAME :: Heptanoic acid

CAS REGISTRY NUMBER :: 111-14-8

BEILSTEIN REFERENCE NO. :: 1744723

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C7-H14-O2

MOLECULAR WEIGHT :: 130.21

WISWESSER LINE NOTATION :: QV6

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 :: 7 gm/kg

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

REFERENCE :: FDRLI* Food & Drug Research Laboratories, Inc., Papers. (P.O. Box 107, Rt. 17C, Waverly, NY 14892-0107) Volume(issue)/page/year: 123,-,1976

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6400 mg/kg

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

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961 *** REVIEWS *** TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84195 No. of Facilities: 31 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 981 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84195 No. of Facilities: 1751 (estimated) No. of Industries: 33 No. of Occupations: 32 No. of Employees: 34035 (estimated) No. of Female Employees: 2138 (estimated)

庚酸安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H314-H332-H335

[ 警示性声明 ]:
P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 + P310

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

[ 危害码 (欧洲) ]:
C:Corrosive

[ 风险声明 (欧洲) ]:
R34

[ 安全声明 (欧洲) ]:
S26-S28-S36/37/39-S45-S28A

[ 危险品运输编码 ]:
UN 3265 8/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
MJ1575000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2915900090

庚酸合成路线

庚酸上下游产品

庚酸上游产品

庚酸下游产品

庚酸制备

1、先由庚烯-1和合成气经羰基化制得庚醛，再经空气氧化得到庚酸。先将1-庚烯合成气（一氧化碳＋氢气）、循环气及催化剂溶液送入羰基化反应器中，控制温度为94-150℃，压力为1.30MPa；反应产物经减压闪蒸分出醛类，催化剂和重组分可循环使用。然后将醛类送入氧化的应器，在混合过渡金属催化剂系统中，在低于0.69MPa压力下，在空气中进行氧化。其中醛几乎达到全部转化，因此，不需分离和循环。所得产物经脱除所含微量催化剂后，送入双塔精馏系统，在第一塔中脱除重组分（可作燃料），塔顶物料送入第二塔，即得成品支链酸。

2、由1-己烯用合成气(CO+H2)羰基化而成庚醛，再经空气氧化而成。

3. 烟草：OR，44，49；BU，56；FC，BU，OR，18；BU，OR，26；FC，40。

4.制法：

于装有搅拌器、温度计的反应瓶中，加入水2.8L，慢慢加入浓硫酸350mL，冰水浴冷却至15℃，加入正庚醛（2）342g（3mol）。剧烈搅拌下，分批加入高锰酸钾340g（2.15mol），每次约加入15g，控制反应液不超过20℃，约2h加完。加完后继续搅拌反应0.5h。通入二氧化硫气体直至澄清（也可加入适量的亚刘酸氢钠）。分出油状物，水洗一次。减压蒸馏。前馏分分出水后重新蒸馏。收集159～161℃/13.3kPa的馏分，得正庚酸^①（1）300g，收率77%，纯度95%～97%。注：①将纯度95%的正庚酸溶于适量的氢氧化钠水溶液中，水蒸气蒸馏，直至馏出物中无油状物。剩余物冷却，用盐酸酸化，分出正庚酸，而后减压蒸馏，收集155～157℃/10.6KPa的馏分，可得到纯度接近100%的正庚酸，收率85%～90%。

庚酸海关

[ 海关编码 ]: 2915900090

[ 中文概述 ]:
2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

庚酸文献

Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.

J. Biol. Chem. 282 , 23841-53, (2007)

Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei...

Protic ionic liquids (PILs) nanostructure and physicochemical properties: development of high-throughput methodology for PIL creation and property screens.

Phys. Chem. Chem. Phys. 17(4) , 2357-65, (2014)

A high-throughput approach was developed in order to prepare and dry a series of protic ionic liquids (PILs) from 48 Brønsted acid-base combinations. Many combinations comprised an alkyl carboxylic ac...

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...

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庚酸