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3-甲基-3-戊醇

3-甲基-3-戊醇用途

【用途一】
用作有机合成中间体及溶剂

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3-甲基-3-戊醇名称

[ CAS 号 ]:
77-74-7

[ 中文名 ]:
3-甲基-3-戊醇

[ 英文名 ]:
3-Methyl-3-pentanol

[中文别名 ]:

[英文别名 ]:

EINECS 201-053-4
MFCD00004483
3-methylpentan-3-ol
3-Methyl-3-pentanol
3-Pentanol, 3-methyl-

3-甲基-3-戊醇物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
122.4±0.0 °C at 760 mmHg

[ 熔点 ]:
-24ºC

[ 分子式 ]:
C₆H₁₄O

[ 分子量 ]:
102.175

[ 闪点 ]:
46.1±0.0 °C

[ 精确质量 ]:
102.104462

[ PSA ]:
20.23000

[ LogP ]:
1.57

[ 外观性状 ]:
无色,易燃液体

[ 蒸汽压 ]:
6.7±0.4 mmHg at 25°C

[ 折射率 ]:
1.415

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开储运

3-甲基-3-戊醇MSDS

3-甲基-3-戊醇毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA7450000

CHEMICAL NAME :: 3-Pentanol, 3-methyl-

CAS REGISTRY NUMBER :: 77-74-7

BEILSTEIN REFERENCE NO. :: 1731456

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C6-H14-O

MOLECULAR WEIGHT :: 102.20

WISWESSER LINE NOTATION :: QX2&2&1

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 :: 710 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 115,230,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 mg/kg

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

REFERENCE :: LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1100 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955

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3-甲基-3-戊醇安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H302

[ 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

[ 风险声明 (欧洲) ]:
R10

[ 安全声明 (欧洲) ]:
24/25

[ 危险品运输编码 ]:
UN 2560

[ WGK德国 ]:
3

[ RTECS号 ]:
SA7450000

[ 包装等级 ]:
III

[ 危险类别 ]:
3.2

3-甲基-3-戊醇合成路线

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3-甲基-3-戊醇文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

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