频那酮

Pinacolin is a metabolite of soman.

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
104.9±8.0 °C at 760 mmHg

[ 熔点 ]:
-52.5 °C

[ 分子式 ]:
C₆H₁₂O

[ 分子量 ]:
100.159

[ 闪点 ]:
23.9±0.0 °C

[ 精确质量 ]:
100.088814

[ PSA ]:
17.07000

[ LogP ]:
1.07

[ 外观性状 ]:
透明无色液体

[ 蒸汽压 ]:
30.3±0.2 mmHg at 25°C

[ 折射率 ]:
1.394

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable. Incompatible with strong oxidizing agents. Flammable.

[ 水溶解性 ]:
2.44 g/100 mL (15 ºC)

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :

EL7700000

CHEMICAL NAME :

2-Butanone, 3,3-dimethyl-

CAS REGISTRY NUMBER :

75-97-8

BEILSTEIN REFERENCE NO. :

1209331

LAST UPDATED :

199710

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C6-H12-O

MOLECULAR WEIGHT :

100.18

WISWESSER LINE NOTATION :

1X1&1&V1

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 :

610 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1625 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5700 mg/m3

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

900 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(12),91,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3 JAN 1993

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H302

[ 警示性声明 ]:
P210

[ 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) ]:
F:Flammable

[ 风险声明 (欧洲) ]:
R11;R22

[ 安全声明 (欧洲) ]:
S9-S16-S29-S33-S20/21

[ 危险品运输编码 ]:
UN 1224 3/PG 2

[ WGK德国 ]:
2

[ RTECS号 ]:
EL7700000

[ 包装等级 ]:
II

[ 危险类别 ]:
3

[ 海关编码 ]:
29141990

详细合成路线

频那酮上游产品

频那酮下游产品

1.丙酮法　丙酮先还原成频哪醇，再在酸性介质中脱水重排而得。

2.异戊醇法　异戊醇高温脱水生成异戊烯，异戊烯和甲醛在无机酸存在下反应而得。

3.叔戊醇法　叔戊醇在盐酸中与甲醛缩合、异构化重排而得。另外，由4,4,5-三甲基-1,3-二噁烷，用稀无机酸或强有机酸沸腾处理也可得到颇哪酮。

4.制法：

于装有滴液漏斗、蒸馏装置的2L反应瓶中，加入3mol/L的硫酸750g，水合频哪醇（2）250g。加热蒸馏，直至流出液有机层体积不再增加，约需15～20min。分出有机层，水层再加入蒸馏瓶中，再加入60mL浓硫酸，250g频哪醇水喝完，继续蒸馏，如此反复，共加入水合频哪醇1000g（4.42mol）。合并有机层，无水氯化钙干燥。过滤，分馏，收集103～107℃的馏分，得无色液体化合物（1）287～318g，收率65%～72%。放置后变浅黄色，重新蒸馏又变为无色。

[ 海关编码 ]: 29141990

A novel carbonyl reductase with anti-Prelog stereospecificity from Acetobacter sp. CCTCC M209061: purification and characterization.

PLoS ONE 9(4) , e94543, (2014)

A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5...

Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.

Appl. Environ. Microbiol. 76(20) , 6733-40, (2010)

We isolated three Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment that were capable of utilizing 4-tert-butylphenol as a sole carbon and energy source. These strains are t...

Enhancement of hepatic microsomal esterase activity following soman pretreatment in guinea pigs.

Biochem. Pharmacol. 46(11) , 2083-92, (1993)

Soman (pinacolyl methylphosphonofluoridate), a highly toxic organophosphate compound, has been found to be a strong inhibitor of hepatic microsomal carboxylesterase in vitro, but an enhancer of carbox...

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公司名：上海化源世纪贸易有限公司

区域：上海市普陀区

价格：

联系人：徐经理

产品详情：3,3-二甲基-2-丁酮

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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：
￥570.0/500g ￥67.0/25g ￥153.0/100g ￥需询单/1g

联系人：阿拉丁

产品详情：频哪酮

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