1,2-环氧-7-辛烯

1,2-环氧-7-辛烯 基本信息
CAS号 19600-63-6 分子式 C8H14O
分子量 126.19600 精确质量 　126.10400
PSA 　12.53000 LogP 　2.13160
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等价的CAS号：

52485-73-1,105205-70-7,126872-17-1,19600-63-6
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目录
基本信息 物化性质 安全信息 化学图谱 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
19600-63-6
3D弹球模型：
立即前往扯扯看
分子式：
C8H14O
分子量：
126.19600
中文名称：
1,2-环氧-7-辛烯
英文名称：
1,2-EPOXY-7-OCTENE
中文别名：
1,2-环氧-7-辛烯;
1,2-环氧基-7-辛烯
英文别名：
1,2-EPOXY-7-OCTENE;
6-Oxiranyl-1-hexene;
2-(hex-5-en-1-yl)oxirane;
1,2-Epoxy-7-octane;
5-hexenyloxirane;
7,8-epoxy-1-octene;
5-hexenyl-oxiran;
1,2-Epoxy-7-octene;
2-(5-Hexenyl)oxirane;
(R)-1,2-epoxy-7-octene;
1,7-octadiene monoepoxide;
(+/-)-1,2-epoxy-7-octene;
7,8-epoxyoctene;
hex-5-en-1-yloxirane;
1,7-OCTADIENMONOXID
精确分子量/精确质量：
126.10400
极性分子表面积/PSA：
12.53000
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。
贝尔斯坦号/MDL：
MFCD00005156
EINECS：
243-178-7
BRN：
1305290
InChI：
The Key: UKTHULMXFLCNAV-UHFFFAOYSA-N

物化性质展开↓

密度：
0.85
沸点：
64-65°C 18mm
闪点：
38 °C
折射率：
1.4345-1.4365
蒸汽压：
3.96mmHg at 25°C
存储条件/存储方法：

0-6°C密闭、阴凉干燥处

稳定性相关：

常温常压下稳定

避免的物料: 氧化物

其它信息：

1.       性状：不确定

2.       密度（g/mL,25/4℃）：0.85

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：不确定

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 18mm）：64-65

7.       折射率：1.4345-1.4365

8.       闪点（ºC）：38

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不确定

安全信息展开↓

包装等级：
III
风险类别：
3
海关代码：
2910900090
危险类别码：
R41
安全说明：
S37/39-S26-S18-S36/37/39-S16
RTECS号：
RR0502000
安全标志：
S16:远离火源。
S18:搬运及打开容器时要当心。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
:
危险标志：
Xi: Irritant;

化学图谱

  1. 1,2-环氧-7-辛烷红外图谱(IR1)

  2. 1,2-环氧-7-辛烷质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RR0502000
CHEMICAL NAME :
Oxirane, 5-hexenyl-
CAS REGISTRY NUMBER :
19600-63-6
BEILSTEIN REFERENCE NO. :
1305290
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H14-O
MOLECULAR WEIGHT :
126.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
155 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 249,55,1991
毒理学数据：

致突变：沙门氏菌Mutation in microorganismsTEST SYSTEM：1 umol/plate

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: 1 2-Epoxy-7-octene 97% Material Safety Data Sheet
Synonym:
CAS: 19600-63-6
Section 1 - Chemical Product   MSDS Name:1 2-Epoxy-7-octene 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19600-63-6 1,2-Epoxy-7-octene 97% 243-178-7
Hazard Symbols: XI
Risk Phrases: 10 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Refrigerator/flammables.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19600-63-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 38 deg C ( 100.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8540g/cm3
Molecular Formula:
Molecular Weight: 126.20
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19600-63-6: RR0502000 LD50/LC50:
Not available.
Carcinogenicity:
1,2-Epoxy-7-octene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 19600-63-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19600-63-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19600-63-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2910900090

概述：
2910900090. 三节环环氧化物，环氧醇（酚，醚），包括其卤化，磺化，硝化或亚硝化的衍生物. 增值税率:17.0%. 退税率:13.0%. 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：
2910900090. epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . 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：38.41

2、   摩尔体积（m3/mol）：142.9

3、   等张比容（90.2K）：336.9

4、   表面张力（dyne/cm）：30.8

5、   极化率（10-24cm3）：15.22

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:1

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积12.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:88.6

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:1

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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