1,3,5-已三烯

1,3,5-已三烯 基本信息
CAS号 2235-12-3 分子式 C6H8
分子量 80.12770 精确质量  80.06260
PSA  0.00000 LogP  1.91460

等价的CAS号:

821-07-8,2235-12-3,2612-46-6,34527-76-9,62015-34-3,62015-35-4

基本信息 展开↓

CAS号:
2235-12-3
3D弹球模型:
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分子式:
C6H8
分子量:
80.12770
中文名称:
1,3,5-已三烯
英文名称:
1,3,5-Hexatriene
中文别名:
1,3,5-已三烯
英文别名:
1,3,5-Hexatriene;
1,3,5-HEXATRIENE,MIXTURE OF ISOMERS,STAB.;
Hexatriene;
hexa-1,3,5-triene;
hexa-1,3,5-triene,mixed isomers;
Hexa-1,3,5-trien;
Divinylethylene;
1,3,5-hexatriene,mixtureofisomers
精确分子量/精确质量:
80.06260
极性分子表面积/PSA:
0.00000
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:
218-789-7
BRN:
1730999
InChI:
The Key: AFVDZBIIBXWASR-UHFFFAOYSA-N

物化性质展开↓

密度:
0.719g/cm3
沸点:
78.2ºC at 760mmHg
折射率:
n20/D 1.511(lit.)
蒸汽压:
103mmHg at 25°C
稳定性相关:

1. 存在于主流烟气中。

其它信息:

1.  沸点(ºC):76~79

2.  闪点(ºC):38

3.   相对密度(d204)     :0.753

4.   折射率(n20D)  : 1.511

安全信息展开↓

包装等级:
III
风险类别:
3.2
海关代码:
2901299090
危险类别码:
10-22-36-65
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

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    cyclohexa-1,3-diene

  • ~62%

  • 2235-12-3

    1,3,5-已三烯

  • +

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    1,5-己二烯醇

  • ~57%

  • 2235-12-3

    1,3,5-已三烯

  • 40749-83-5

    4-prop-1-enyl-1,3-dioxane

  • +

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    乙酸乙酯

  • ~5%

  • 55230-25-6

    6-methyl-3,6-dihydro-2H-pyran

  • +

  • 504-60-9

    1,3-戊二烯

  • +

  • 2235-12-3

    1,3,5-已三烯

  • +

  • 1516-17-2

    反,反-2,4-己二烯醛醋酸酯

  • +

  • 75338-23-7

    3,5-hexadien-1-ol acetate

化学图谱

  1. 1,3,5-己三烯红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP5425000
CHEMICAL NAME :
1,3,5-Hexatriene
CAS REGISTRY NUMBER :
2235-12-3
BEILSTEIN REFERENCE NO. :
1730999
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C6-H8
MOLECULAR WEIGHT :
80.14
WISWESSER LINE NOTATION :
1U2U2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100000 ppm/15M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6730 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6414 No. of Facilities: 86 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 296 (estimated) No. of Female Employees: 3 (estimated)
毒理学数据:

 

海关数据查看详细

中国海关编码:2901299090

概述:
2901299090 其他不饱和无环烃。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:
2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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