异辛酸

异辛酸用途

【用途一】
主要用于制备各种金属盐作为涂料和油漆的催干剂，其酯类可用作增塑剂和羧苄青霉素的原料
【用途二】
2-乙基已酸大部分转化为金属锆、钴、钼、锌等的盐，用于油漆催干剂和聚氯乙烯塑料的热稳定剂；锡盐作为塑料管材的添加剂；钡盐、镉盐用于塑料压延产品和稳定剂，2-乙基已酸及其酯类也用于医药、杀菌剂、金属润滑剂、化妆品等方面，其甘油酯是优良的增塑剂。2-乙基已酸是医药羧苄青霉素的原料。还用于许多染料、香料的合成。

异辛酸名称

[ CAS 号 ]:
149-57-5

[ 中文名 ]:
异辛酸

[ 英文名 ]:
2-Ethylcaproic acid

[中文别名 ]:

[英文别名 ]:

Octanoic Acid
2-ethyl-1-hexanoic acid
Hexanoic acid, 2-ethyl-
2-ETHYLHEXOIC ACID
2-ethyl-hexansyra
QVY4&2
Ethylhexanoic acid
CARBOXYLIC ACID C8
EINECS 205-743-6
2-Ethylcaproic acid

异辛酸物理化学性质

[ 密度 ]:
0.9±0.1 g/cm3

[ 沸点 ]:
228.0±0.0 °C at 760 mmHg

[ 熔点 ]:
-59 °C

[ 分子式 ]:
C₈H₁₆O₂

[ 分子量 ]:
144.211

[ 闪点 ]:
116.6±6.9 °C

[ 精确质量 ]:
144.115036

[ PSA ]:
37.30000

[ LogP ]:
2.72

[ 外观性状 ]:
透明液体

[ 蒸汽密度 ]:
4.98 (vs air)

[ 蒸汽压 ]:
0.0±0.9 mmHg at 25°C

[ 折射率 ]:
1.435

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存储

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

[ 水溶解性 ]:
2 g/L (20 ºC)

异辛酸MSDS

详细MSDS(安全技术说明书)

异辛酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MO7700000

CHEMICAL NAME :: Hexanoic acid, 2-ethyl-

CAS REGISTRY NUMBER :: 149-57-5

BEILSTEIN REFERENCE NO. :: 1750468

LAST UPDATED :: 199710

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C8-H16-O2

MOLECULAR WEIGHT :: 144.24

WISWESSER LINE NOTATION :: QVY4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 gm/kg

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

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >400 ppm/6H

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 :: 1260 uL/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 - guinea pig

DOSE/DURATION :: 6300 uL/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 25200 mg/kg/3W-C

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8800 mg/kg/2W-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Liver - changes in liver weight Skin and Appendages - hair

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 81116 mg/kg/2W-C

TOXIC EFFECTS :: Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1803 mg/kg

SEX/DURATION :: female 12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 5 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 630 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,75,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84204 No. of Facilities: 711 (estimated) No. of Industries: 23 No. of Occupations: 28 No. of Employees: 15851 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84204 No. of Facilities: 15863 (estimated) No. of Industries: 135 No. of Occupations: 89 No. of Employees: 176189 (estimated) No. of Female Employees: 20117 (estimated)

异辛酸安全信息

[ 符号 ]:

GHS08

[ 信号词 ]:
Warning

[ 危害声明 ]:
H361d

[ 警示性声明 ]:
P280

[ 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) ]:
R63

[ 安全声明 (欧洲) ]:
S36/37

[ 危险品运输编码 ]:
UN 3265 8/PG 2

[ WGK德国 ]:
1

[ RTECS号 ]:
MO7700000

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

[ 海关编码 ]:
29159080

异辛酸合成路线

详细合成路线

异辛酸上下游产品

异辛酸上游产品

异辛酸下游产品

异辛酸制备

国外一些公司用丁醛为原料，经缩合脱水得到2-乙基已烯醛。

1.-乙基己醇氧化法　由2-乙基己醇在氢氧化钠水溶液中经高锰酸钾氧化生成异辛酸钠，再经硫酸中和制得。原料消耗定额：2-乙基已醇1204kg/t、高锰酸钾3611kg/t、液碱约1500kg/t、硫酸约960kg/t。

2.-乙基己烯醛氧化法　以丙烯羰基合成生产2-乙基己醇的中间产品2-乙基己烯醛为原料，通过选择性加氢制得2-乙基己醛，再经液相氧化生产2-乙基己醇。3.2-乙基己醇催化脱氢酯化法　2-乙基己醇在碱性条件下，以氧化镉、氧化锌、二氧化锰为催化剂，于180-210℃脱氢生成2-乙基己酸酯（异辛酸酯），异辛酸酯经皂化生成相应的盐和醇，盐经硫酸酸化后，再经精馏得异辛酸成品。

3.烟草：OR，18；BU，26；FC，40。

4.制法：

于反应釜中加水100mL，氢氧化钠2.0kg，搅拌溶解。不断搅拌下加入异辛醇（2）5.0kg（38.5mol）。控制反应温度20℃，分批加入高锰酸钾16.0kg（95mol）。升温至40～50℃，搅拌反应4h，至高锰酸钾的紫红色消失。过滤，滤饼用热水洗涤。减压浓缩至原体积的1/2。滤液用稀硫酸调至pH1～2。分出油层，减压蒸馏，收集110～130℃/2.66kPa的馏分。得异辛酸（1）^①4.4kg，收率79%。注：①也可用异辛醇的硝酸氧化法制备，收率35%。

异辛酸海关

[ 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%

异辛酸文献

Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.

Bioorg. Med. Chem. Lett. 21 , 2521-6, (2011)

The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic...

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...

Enabling unassisted solar water splitting by iron oxide and silicon.

Nat. Commun. 6 , 7447, (2015)

Photoelectrochemical (PEC) water splitting promises a solution to the problem of large-scale solar energy storage. However, its development has been impeded by the poor performance of photoanodes, par...

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异辛酸