反式-2-壬烯醛

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

反式-2-壬烯醛 基本信息

中文名称:
反式-2-壬烯醛 
中文别名:
反式-2-壬烯醛;
反式-2-壬醛;
反-2-壬烯醛 
英文名称:
2-Nonenal, (2E)-
英文别名:
TRANS-2-NONENAL;
trans-nonenal;
trans-2-Nonenal 
CAS No.:
18829-56-6
分 子 式:
C9H16O
分 子 量:
140.22
精确分子量:
140.12000
PSA:
17.07000
MDL:
MFCD00007012
EINECS:
242-609-6
InChI:
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

反式-2-壬烯醛 物化性质

外观与性状:
透明无色至淡黄色液体
密度:
0.834g/cm3
沸点:
205ºC at 760mmHg
闪点:
84.4ºC
折射率:
1.453
存储条件/存储方法:

常温密闭避光,通风干燥

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℃):0.846(lit.)

3.       相对蒸汽密度(g/mL,空气=1):>1

4.      相对密度(20℃,4℃):0.8465

5.       沸点(ºC,常压):8912

6.       沸点(ºC, 12mmHg):88-90(lit.)

7.       折射率:n20/D 1.4528(lit.)

8.       闪点(ºF):184

9.       常温折射率(n25):1.441031

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

反式-2-壬烯醛 安全信息

海关代码:
2912190090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
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。
:
危险标志:
Xi: Irritant;

反式-2-壬烯醛 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RA8509050
CHEMICAL NAME :
2-Nonenal, (E)-
CAS REGISTRY NUMBER :
18829-56-6
BEILSTEIN REFERENCE NO. :
1722170
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H16-O
MOLECULAR WEIGHT :
140.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
100 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 290,183,1993
毒理学数据:

致突变:老鼠肝Micronucleus testTEST SYSTEM:10 umol/L

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

反式-2-壬烯醛 MSDS

Name: Trans-2-Nonenal 95% Material Safety Data Sheet
Synonym: None
CAS: 18829-56-6
Section 1 - Chemical Product   MSDS Name:Trans-2-Nonenal 95% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
18829-56-6 Trans-2-Nonenal 95 242-609-6
Hazard Symbols: XI
Risk Phrases: 38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing.
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18829-56-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 55 - 60 deg C @ .30mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 79 deg C ( 174.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: .8400g/cm3
Molecular Formula: C9H16O
Molecular Weight: 140.23

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 18829-56-6: RA8509050 LD50/LC50:
Not available.
Carcinogenicity:
Trans-2-Nonenal - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 38 Irritating to skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 18829-56-6: No information available.
Canada
CAS# 18829-56-6 is listed on Canada's DSL List.
CAS# 18829-56-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18829-56-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

反式-2-壬烯醛 海关数据

中国海关编码:2912190090

概述:
HS: 2912190090. 其他无环醛(不含其他含氧基). 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, 四聚甲醛报明外观
摘要/Summary:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

反式-2-壬烯醛 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:43.98

2、   摩尔体积(cm3/mol):168.0

3、   等张比容(90.2K):386.3

4、   表面张力(dyne/cm):27.9

5、   极化率(10-24cm3):17.43

计算化学数据

1、   疏水参数计算参考值(XlogP):3.1

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:6

5、   拓扑分子极性表面积(TPSA):17.1

6、   重原子数量:10

7、   表面电荷:0

8、   复杂度:94.9

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:1

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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