苯甲酸丁酯

Butyl benzoate as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction. Butyl benzoate has been used as preservative in commercial cosmetic lotions. 3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity.

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
250.4±8.0 °C at 760 mmHg

[ 熔点 ]:
-22 °C

[ 分子式 ]:
C₁₁H₁₄O₂

[ 分子量 ]:
178.228

[ 闪点 ]:
106.1±0.0 °C

[ 精确质量 ]:
178.099380

[ PSA ]:
26.30000

[ LogP ]:
3.79

[ 外观性状 ]:
无色粘性液体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.499

[ 储存条件 ]:
库房通风低温干燥,与氧化剂类分开存放

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DG4925000

CHEMICAL NAME :

Benzoic acid, butyl ester

CAS REGISTRY NUMBER :

136-60-7

BEILSTEIN REFERENCE NO. :

1867073

LAST UPDATED :

199806

DATA ITEMS CITED :

9

MOLECULAR FORMULA :

C11-H14-O2

MOLECULAR WEIGHT :

178.25

WISWESSER LINE NOTATION :

4OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 10/15/1958 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

735 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,7,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3450 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - other changes Blood - hemorrhage

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539230

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,7,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80635 No. of Facilities: 102 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 3194 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80635 No. of Facilities: 343 (estimated) No. of Industries: 10 No. of Occupations: 13 No. of Employees: 16662 (estimated) No. of Female Employees: 1038 (estimated)

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302-H315-H319-H335

[ 警示性声明 ]:
P261-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) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R22;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
DG4925000

[ 海关编码 ]:
29163100

详细合成路线

苯甲酸丁酯上游产品

苯甲酸丁酯下游产品

由苯甲酸与丁醇酯化而得。将苯甲酸；丁醇；硫酸和四氯化碳一起加热回流8h，脱去定量的水后，减压除去过量的丁醇，然后洗涤至中性，经干燥后减压蒸馏即得成品。

精制方法：含游离的酸和醇等杂质。精制时用碳酸氢钠或碳酸钠溶液洗涤，无水碳酸钾或硫酸钠干燥后蒸馏。

[ 海关编码 ]: 2909309090

[ 中文概述 ]:
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Effect of ionic liquids on the interaction between liposomes and common wastewater pollutants investigated by capillary electrophoresis.

J. Chromatogr. A. 1405 , 178-87, (2015)

The effect of three phosphonium and imidazolium ionic liquids (ILs) on the interaction between liposomes and common pharmaceuticals found in wastewaters was studied. The liposomes comprised zwitterion...

MDHS 25 revisited; development of MDHS 25/3, the determination of organic isocyanates in air.

Ann. Occup. Hyg. 50(1) , 15-27, (2006)

Isocyanates (NCO) are potent sensitizers and the largest cause of occupational asthma in the UK. Probably, MDHS 25/3 is the method most commonly used worldwide for the determination of organic NCO in ...

A simplex-optimized chromatographic separation of fourteen cosmetic preservatives: analysis of commercial products.

J. Chromatogr. Sci. 39(8) , 339-44, (2001)

An ion-interaction high-performance liquid chromatography (HPLC)-diode-array detection method is developed and optimized for the separation of typical antimicrobial agents used in cosmetics and hygien...

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公司名：上海化源世纪贸易有限公司

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价格：

联系人：徐经理

产品详情：苯甲酸丁酯

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公司名：南通润丰石油化工有限公司

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价格：
￥需询单/1kg ￥需询单/1ton

联系人：曹经理

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公司名：上海吉至生化科技有限公司

区域：上海市奉贤区

价格：
￥88.0/500ml

联系人：刘佳

产品详情：苯甲酸丁酯

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公司名：上海阿拉丁生化科技股份有限公司

区域：上海市浦东新区

价格：
￥31.9/100ml ￥82.9/500ml ￥55.9/100ml ￥41.9/25ml

联系人：阿拉丁

产品详情：苯甲酸丁酯

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公司名：上海创赛科技有限公司

区域：上海市嘉定区

价格：
￥37.0/100ml ￥75.0/500ml ￥307.0/2500ml ￥99.0/5ml

联系人：夏言

产品详情：[Perfemiker]苯甲酸丁酯,98%

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