5,8,11,13,16,19-六氧杂二十三烷

5,8,11,13,16,19-六氧杂二十三烷 基本信息
CAS号 143-29-3 分子式 C17H36O6
分子量 336.46400 精确质量  336.25100
PSA  55.38000 LogP  2.64370

基本信息 展开↓

CAS号:
143-29-3
3D弹球模型:
立即前往扯扯看
分子式:
C17H36O6
分子量:
336.46400
中文名称:
5,8,11,13,16,19-六氧杂二十三烷
英文名称:
1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
中文别名:
5,8,11,13,16,19-六氧杂二十三烷;
5,8,11,13,16,19-Hexaoxatricosane Hexaoxatricosane 2-(2-Butoxyethoxy)ethyl formal
英文别名:
1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane;
Bis(butoxyethoxyethyl)formal;
Dibutoxyethoxyethyl formal;
Cryoflex;
bis(2-(2-butoxyethoxy)ethoxy)methane;
Bis(butoxyethoxyethoxy)methane;
5,8,11,13,16,19-Hexaoxatricosane;
TP 90B;
Bis(butylcarbitol)formal;
Butylcarbitol formal;
Dibutylcarbitolformal
精确分子量/精确质量:
336.25100
极性分子表面积/PSA:
55.38000
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:
205-598-9
InChI:
The Key: DKWHHTWSTXZKDW-UHFFFAOYSA-N

物化性质展开↓

密度:
0.968g/cm3
沸点:
392.3ºC at 760 mmHg
闪点:
147.7ºC
折射率:
1.438
蒸汽压:
5.25E-06mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥

安全信息展开↓

海关代码:
2901100000

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PA3400000
CHEMICAL NAME :
Methane, bis(2-(2-butoxyethoxy)ethoxy)-
CAS REGISTRY NUMBER :
143-29-3
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C17-H36-O6
MOLECULAR WEIGHT :
336.53
WISWESSER LINE NOTATION :
4O2O2O1O2O2O4

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 :
1746 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: 2,238,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2700 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(5),87,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83629 No. of Facilities: 56 (estimated) No. of Industries: 1 No. of Occupations: 24 No. of Employees: 2830 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83629 No. of Facilities: 403 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 4606 (estimated) No. of Female Employees: 759 (estimated)
毒理学数据:

口服-大鼠 LD50: 1746 毫克/公斤; 口服-小鼠 LD50; 2700 毫克/公斤。

海关数据查看详细

中国海关编码:2901100000

概述:
2901100000 饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明
摘要/Summary:
2901100000 saturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。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:91.27

2、  摩尔体积(cm3/mol):347.3

3、  等张比容(90.2K):826.4

4、  表面张力(dyne/cm):32.0

5、  极化率(10-24cm3):36.18

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:0

3.氢键受体数量:6

4.可旋转化学键数量:20

5.互变异构体数量:无

6.拓扑分子极性表面积55.4

7.重原子数量:23

8.表面电荷:0

9.复杂度:184

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

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