二甲基(乙烯基)乙炔基甲醇

二甲基(乙烯基)乙炔基甲醇 基本信息
CAS号 690-94-8 分子式 C7H10O
分子量 110.15400 精确质量 　110.07300
PSA 　20.23000 LogP 　0.94670
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
690-94-8
3D弹球模型：
立即前往扯扯看
分子式：
C7H10O
分子量：
110.15400
中文名称：
二甲基(乙烯基)乙炔基甲醇
英文名称：
2-methylhex-5-en-3-yn-2-ol
中文别名：
二甲基(乙烯基)乙炔基甲醇;
2-甲基-5-己烯-3-炔-2-醇;
2-甲基己-5-烯-3-炔-2-醇;
5-己烯-3-炔-2-醇,2-甲基-;
二甲基(乙烯基乙炔基)甲醇
英文别名：
2-methylhex-5-en-3-yn-2-ol;
Nazarov carbinol;
5-HEXEN-3-YN-2-OL,2-METHYL;
Nazarov's carbinol;
1,1-dimethylpent-2-yn-4-en-1-ol;
2-methyl-5-hexen-3-yn-2-ol;
(dimethyl)(vinylethynyl)carbinol;
5-methyl-1-hexene-3-yn-5-ol
精确分子量/精确质量：
110.07300
极性分子表面积/PSA：
20.23000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: OYWGYGPXPDGOGH-UHFFFAOYSA-N

物化性质展开↓

密度：
0.917g/cm3
沸点：
159.9ºC at 760 mmHg
闪点：
59.9ºC
折射率：
1.473

安全信息展开↓

海关代码：
2905290000

合成路线查看所有的合成路线

  • 593-60-2

    溴乙烯

  • +

  • 115-19-5

    2-甲基-3-丁炔-2-醇

  • →

    ~88%

  • 690-94-8

    二甲基(乙烯基)乙炔基甲醇

  • 2768-02-7

    乙烯基三甲氧基硅烷

  • +

  • 115-19-5

    2-甲基-3-丁炔-2-醇

  • →

    ~48%

  • 690-94-8

    二甲基(乙烯基)乙炔基甲醇

  • 819-44-3

    5-chloro-5-methylhex-1-en-3-yne

  • +

  • 7732-18-5

    水

  • →

  • 690-94-8

    二甲基(乙烯基)乙炔基甲醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP9880500
CHEMICAL NAME :
5-Hexen-3-yn-2-ol, 2-methyl-
CAS REGISTRY NUMBER :
690-94-8
BEILSTEIN REFERENCE NO. :
1699499
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C7-H10-O

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 :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,60,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
590 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,60,1982
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,60,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,60,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,60,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
590 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: 39(4),86,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.05 mg/m3 JAN 1993

海关数据查看详细

中国海关编码：2905290000

概述：
2905290000 其他不饱和一元醇。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, 包装
摘要/Summary：
2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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