3-甲基丁酸乙酯

3-甲基丁酸乙酯用途

【用途一】
主要用于配制食用香精
【用途二】
GB 2760—96规定为允许使用的食用香料。主要用于配制苹果、菠萝及各种水果型香精。
【用途三】
偶尔用于化妆品用香精中，以增加头香扩散力。可大量用于食用香精，主要是苹果、凤梨及朗姆型中。用其果香于胶姆糖亦好。亦偶尔用于烟草香精。
【用途四】
异戊酸乙酯是我国《食品添加剂使用卫生标准》规定允许使用的食品香料，主要用于配制菠萝、苹果、柠檬、葡萄等水果型食用香精。在胶姆糖中使用量为80～430mg/kg；糖果中29mg/kg烘烤食品中27mg/kg}冷饮中7.5mg/kg；布丁类中5.0mg/kg；软饮料中4.9mg/kg。
【用途五】
本品具有类似苹果、桑子香气，用作精油、香料、人造水果香精，也可用于食品和烟草。本品还可作溶剂。

3-甲基丁酸乙酯名称

[ CAS 号 ]:
108-64-5

[ 中文名 ]:
异戊酸乙酯

[ 英文名 ]:
Ethyl isovalerate

[中文别名 ]:

[英文别名 ]:

UNII-9ZZ5597636
ethyl isovarelate
isovaleric acid cyclohexyl ester
butyric acid, 3-methyl-, ethyl ester
Cyclohexyl isovalerianate
Ethyl isovalerate
EINECS 203-602-3
Cyclohexylisovalerianat
Ethyl isovalerianate
Ethyl 3-methyl butanoate

3-甲基丁酸乙酯物理化学性质

[ 密度 ]:
0.9±0.1 g/cm3

[ 沸点 ]:
135.1±8.0 °C at 760 mmHg

[ 熔点 ]:
-99 °C

[ 分子式 ]:
C₇H₁₄O₂

[ 分子量 ]:
130.185

[ 闪点 ]:
26.7±0.0 °C

[ 精确质量 ]:
130.099380

[ PSA ]:
26.30000

[ LogP ]:
2.12

[ 外观性状 ]:
无色液体/强烈的,稀释后有水果、葡萄酒、苹果的气味

[ 蒸汽压 ]:
7.9±0.2 mmHg at 25°C

[ 折射率 ]:
1.404

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

3-甲基丁酸乙酯MSDS

详细MSDS(安全技术说明书)

3-甲基丁酸乙酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NY1504000

CHEMICAL NAME :: Isovaleric acid, ethyl ester

CAS REGISTRY NUMBER :: 108-64-5

BEILSTEIN REFERENCE NO. :: 1744677

LAST UPDATED :: 199803

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H14-O2

MOLECULAR WEIGHT :: 130.21

WISWESSER LINE NOTATION :: 2OV1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,743,1978 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1200 mg/kg

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: 16,743,1978

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7031 mg/kg

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

REFERENCE :: IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83192 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 29 No. of Employees: 4144 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83192 No. of Facilities: 259 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 7246 (estimated) No. of Female Employees: 6082 (estimated)

3-甲基丁酸乙酯安全信息

[ 符号 ]:

GHS02

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226

[ 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) ]:
T+

[ 风险声明 (欧洲) ]:
R10

[ 安全声明 (欧洲) ]:
S16

[ 危险品运输编码 ]:
UN 3272 3/PG 3

[ WGK德国 ]:
2

[ RTECS号 ]:
NY1504000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

[ 海关编码 ]:
2915600000

3-甲基丁酸乙酯合成路线

详细合成路线

3-甲基丁酸乙酯上下游产品

3-甲基丁酸乙酯上游产品

3-甲基丁酸乙酯下游产品

3-甲基丁酸乙酯制备

1.由异戊酸与乙醇在硫酸催化下直接酯化，反应混合物冷却后，用碳酸钠中和，再经水洗、干燥后分馏得产品。
(CH3)2CHCH2COOH+CH3CH2OH[H2SO4]→(CH3)2CHCH2COOCH2CH3+H2O
也可由异丁腈与乙醇在硫酸催化下，加热回流10h，经中和、水洗，分出酯层后分馏而得成品。

精制方法：碳酸钠饱和溶液洗涤，无水硫酸钠或硫酸镁干燥后精馏。

2.由异戊酸与乙醇在硫酸催化下直接酯化，经水洗、干燥、分馏制得。也可由异丁腈与乙醇在硫酸催化下，加热回流，经中和、水洗、分离、分馏制得。

3-甲基丁酸乙酯海关

[ 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%

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