N-硬脂酰神经鞘氨醇

N-硬脂酰神经鞘氨醇 基本信息
CAS号 2304-81-6 分子式 C36H71NO3
分子量 565.95400 精确质量 　565.54300
PSA 　69.56000 LogP 　10.73410
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等价的CAS号：

54336-64-0,95037-06-2,104826-38-2,123482-90-6,134731-78-5,136846-30-5,2304-81-6
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
2304-81-6
3D弹球模型：
立即前往扯扯看
分子式：
C36H71NO3
分子量：
565.95400
中文名称：
N-硬脂酰神经鞘氨醇
英文名称：
C18 CERAMIDE
中文别名：
N-硬脂酰神经鞘氨醇;
(2R,3R,4E)-硬脂酰鞘氨醇
英文别名：
C18 CERAMIDE;
STEAROYL CERAMIDE;
ceramide c18;
N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide;
N-Stearoyl-D-erythro-sphingosine;
N-stearoylsphingosine;
Cer(d18:1/18:0);
N-STEAROYLSPHINGANINE;
C18 DIHYDROCERAMIDE;
N-(octadecanoyl)-sphing-4-enine;
N-18:0 SPHINGANINE;
C18-D-ERYTHRO-CERAMIDE;
N-stearoyl-D-erythro-sphingosine;
N-Stearoyl-D-sphingosine;
18:0 CERAMIDE;
N-((2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide;
(2S,3R,4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol;
N-STEAROYL CERAMIDE
精确分子量/精确质量：
565.54300
极性分子表面积/PSA：
69.56000
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。
InChI：
The Key: VODZWWMEJITOND-NXCSZAMKSA-N

物化性质展开↓

外观与性状：
白色粉末
密度：
0.915g/cm3
熔点：
99 - 101ºC
沸点：
694.5ºC at 760 mmHg
闪点：
373.8ºC
折射率：
1.479
蒸汽压：
2.59E-22mmHg at 25°C
存储条件/存储方法：

冷藏应贮存于阴凉，干燥的地方。存放于密闭容器中。 -20°C储存

稳定性相关：

常温常压下稳定

其它信息：

1.      性状：白色粉末

2.      密度（g/L,25ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：99-101

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC 1.2Kpa）：未确定

7.      折射率（nD20）：未确定

8.      闪点（ºC）：未确定

9.      比旋光度（）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（Pa,25ºC）：未确定

12.   饱和蒸气压（kPa,20ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：不溶于水

安全信息展开↓

安全说明：
S24/25

毒理性展开↓

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: N-Stearoyl-D-erythro-spinghosine synthetical 99+% Material Safety Data Sheet
Synonym: Ceramide C1
CAS: 2304-81-6
Section 1 - Chemical Product   MSDS Name:N-Stearoyl-D-erythro-spinghosine synthetical 99+% Material Safety Data Sheet
Synonym:Ceramide C1
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2304-81-6 N-Stearoyl-D-erythro-spinghosine, synt 99+% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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.
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 extinguishing media most appropriate for the surrounding fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
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 tightly closed container. Deep freeze (below -20C). Keep refrigerated. (Store below 4C/39F.)
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2304-81-6: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 99 - 101 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 565.96
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2304-81-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Stearoyl-D-erythro-spinghosine, synthetical - Not listed by ACGIH, IARC, or NTP.
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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2304-81-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2304-81-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2304-81-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：175.5

2、   摩尔体积（m3/mol）：618.0

3、   等张比容（90.2K）：1512.8

4、   表面张力（dyne/cm）：35.8

5、   极化率（10-24cm3）：69.57

计算化学数据

1.疏水参数计算参考值（XlogP）:13.9

2.氢键供体数量:3

3.氢键受体数量:3

4.可旋转化学键数量:32

5.互变异构体数量:2

6.拓扑分子极性表面积69.6

7.重原子数量:40

8.表面电荷:0

9.复杂度:536

10.同位素原子数量:0

11.确定原子立构中心数量:2

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:1

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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