2-(2-苯氧基乙氧基)乙醇

2-(2-苯氧基乙氧基)乙醇 基本信息
CAS号 104-68-7 分子式 C10H14O3
分子量 182.21600 精确质量  182.09400
PSA  38.69000 LogP  1.07430

基本信息 展开↓

CAS号:
104-68-7
3D弹球模型:
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分子式:
C10H14O3
分子量:
182.21600
中文名称:
2-(2-苯氧基乙氧基)乙醇
英文名称:
2-(2-phenoxyethoxy)ethanol
中文别名:
2-(2-苯氧基乙氧基)乙醇
英文别名:
2-(2-phenoxyethoxy)ethanol;
2-(2-phenoxy-ethoxy)-ethanol;
Phenyl carbitol;
EINECS 203-227-5;
Fenylkarbitol [Czech];
2-(2-Phenoxy-aethoxy)-aethanol;
ETHANOL,2-(2-PHENOXYETHOXY);
Diethylene glycol monophenyl ether;
Diethylene glycol phenyl ether;
Phenoxydiglycol;
(2-Hydroxy-aethyl)-(2-phenoxy-aethyl)-aether;
2'-Hydroxy-2-phenoxy-diaethylaether
精确分子量/精确质量:
182.09400
极性分子表面积/PSA:
38.69000
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。
EINECS:
203-227-5
InChI:
The Key: ZUAURMBNZUCEAF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.092g/cm3
沸点:
309.3ºC at 760mmHg
闪点:
140.9ºC
折射率:
1.512
蒸汽压:
0.000277mmHg at 25°C

安全信息展开↓

海关代码:
2909499000

合成路线查看所有的合成路线

  • 57641-66-4

    2-(2-溴乙氧基)乙醇

  • +

  • 108-95-2

    苯酚

  • ~74%

  • 104-68-7

    2-(2-苯氧基乙氧基)乙醇

  • 75-21-8

    环氧乙烷

  • +

  • 139-02-6

    苯酚钠

  • ~71%

  • 104-68-7

    2-(2-苯氧基乙氧基)乙醇

  • 139-02-6

    苯酚钠

  • +

  • 108-95-2

    苯酚

  • 104-68-7

    2-(2-苯氧基乙氧基)乙醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KM0875000
CHEMICAL NAME :
Ethanol, 2-(2-phenoxyethoxy)-
CAS REGISTRY NUMBER :
104-68-7
BEILSTEIN REFERENCE NO. :
2093125
LAST UPDATED :
199806
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C10-H14-O3
MOLECULAR WEIGHT :
182.24
WISWESSER LINE NOTATION :
Q2O2OR

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: 8/16/1961 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2120 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2977 No. of Facilities: 250 (estimated) No. of Industries: 5 No. of Occupations: 6 No. of Employees: 4459 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2977 No. of Facilities: 65 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 2289 (estimated) No. of Female Employees: 477 (estimated)

海关数据查看详细

中国海关编码:2909499000

概述:
2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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
摘要/Summary:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:50.11

2、  摩尔体积(cm3/mol):166.8

3、  等张比容(90.2K):419.6

4、  表面张力(dyne/cm):40.0

5、  极化率(10-24cm3):19.86

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积38.7

7.重原子数量:13

8.表面电荷:0

9.复杂度:111

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 57641-66-4

    2-(2-溴乙氧基)乙醇

  • 108-95-2

    苯酚

  • 75-21-8

    环氧乙烷

  • 628-89-7

    2-(2-氯乙氧基)乙醇

  • 139-02-6

    苯酚钠

下游产品

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    2-[2-[2-(2-苯氧乙氧基]乙氧基]乙氧基]乙醇

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