二十二酸

二十二酸 基本信息
CAS号 112-85-6 分子式 C22H44O2
分子量 340.58400 精确质量  340.33400
PSA  37.30000 LogP  7.89290

基本信息 展开↓

CAS号:
112-85-6
3D弹球模型:
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分子式:
C22H44O2
分子量:
340.58400
中文名称:
二十二酸
英文名称:
behenic acid
中文别名:
二十二酸;
山俞酸;
二十二烷酸;
扁油酸;
山萮酸;
蘿酸;
山嵛酸
英文别名:
behenic acid;
Glycon B-70;
Hydrofol Acid 560;
Behenic acid;
docosanic acid;
Hydrofol 2022-55;
Docosanoic acid;
N-DOCOSANOIC ACID;
Docosoic acid;
Docosanoic Acid
精确分子量/精确质量:
340.33400
极性分子表面积/PSA:
37.30000
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:
MFCD00002807
EINECS:
204-010-8
PubChem:
24847384
BRN:
1792887
InChI:
InChI=1/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

生产制备方法及用途展开↓

制备方法


1.山珪酸以甘油酯的形式存在于硬化菜油和硬化鱼油中,花生油、菜籽油、芥子油中也有少量存在。制备时将含山珪酸的各种油用蒸馏、精制、分离的方法提纯即可制得精品。 2. 烟草:FC,15, 41;BU,9。

合成制备方法


1. 山珪酸以甘油酯的形式存在于硬化菜油和硬化鱼油中,花生油、菜籽油、芥子油中也有少量存在。制备时将含山珪酸的各种油用蒸馏、精制、分离的方法提纯即可制得精品。

2. 烟草:FC,15, 41;BU,9。

用途简介


1.用于制造山嵛醇、山嵛酸酯、山嵛酸酰胺,广泛用于纺织、石油、洗涤剂、化妆品等行业。用作有机合成。 2.用作高级乳化制品的油相原料或高熔点的软膏制品,也用作香皂的乳化剂、胶凝剂和固化剂,还可作医药杀真菌剂和农业杀虫剂。

用途


1.用于制造山嵛醇、山嵛酸酯、山嵛酸酰胺,广泛用于纺织、石油、洗涤剂、化妆品等行业。用作有机合成。

2.用作高级乳化制品的油相原料或高熔点的软膏制品,也用作香皂的乳化剂、胶凝剂和固化剂,还可作医药杀真菌剂和农业杀虫剂。

物化性质展开↓

外观与性状:
白色至奶油色晶体或粉末
密度:
0.881 g/cm3
熔点:
72-80 °C(lit.)
沸点:
306°C 60mm
闪点:
306°C/60mm
折射率:
1.427 (20ºC)
蒸汽压:
7.66E-07mmHg at 25°C
存储条件/存储方法:

1.储存于阴凉、干燥、通风良好的库房。远离火种、热源。防止阳光直射。包装必须密封,切勿受潮。应与氧化剂、还原剂、强碱分开存放,切忌混储。

2.配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关:

1. 避免与氧化剂、还原剂、碱接触。

2. 存在于烤烟烟叶中、白肋烟烟叶中。

其它信息:

1.      性状:气味柔和的固体。

2.      密度(g/mL,20℃):0.8221

3.      沸点(ºC):306(7998pa)

4.      熔点(ºC):80 ~81

5.      相对密度(20℃,4℃):0.822390

6.      沸点(ºC,8.0KPa):306

7.      折射率(n100D):1.4270

8.      闪点(ºC):176.3

9.    相对密度(25℃,4℃):0.821995

10.   常温折射率(n25):1.4270100

11.   蒸气压(mmHg,ºC):

12.   饱和蒸气压(kPa, ºC):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:溶于氯仿,微溶于水、乙醇和乙醚。

安全信息展开↓

包装等级:
II
风险类别:
6.1
海关代码:
2915900090
WGK_Germany:
-
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39-S24/25
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。
S24/25:防止皮肤和眼睛接触。
:

合成路线查看所有的合成路线

  • 60-33-3

    亚油酸

  • ~95%

  • 112-85-6

    二十二酸

  • 116802-23-4

    116802-23-4

  • ~86%

  • 112-85-6

    二十二酸

  • 60-29-7

    乙醚

  • +

  • 112-86-7

    芥酸

  • 112-85-6

    二十二酸

化学图谱

  1. 二十二酸核磁图(13CNMR)

  2. 二十二酸质谱(MS)

  3. 二十二酸红外图谱(IR2)

  4. 二十二酸红外图谱(IR1)

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毒理性展开↓

生态数据:

对水有轻微的危害。

MSDS 展开↓

Name: Docosanoic Acid Tech. 85% Material Safety Data Sheet
Synonym: Behenic Acid
CAS: 112-85-6
Section 1 - Chemical Product   MSDS Name:Docosanoic Acid Tech. 85% Material Safety Data Sheet
Synonym:Behenic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
112-85-6 Docosanoic Acid 85% 204-010-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. 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.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 112-85-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 306 deg C @ 60.00mmHg
Freezing/Melting Point: 80.00 - 82.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C22H44O2
Molecular Weight: 340.58

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, 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# 112-85-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Docosanoic Acid - 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
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: Not available.
Risk Phrases:
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# 112-85-6: 0
Canada
CAS# 112-85-6 is listed on Canada's DSL List.
CAS# 112-85-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 112-85-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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


五、分子性质数据:

1、   摩尔折射率:105.53

2、   摩尔体积(cm3/mol):386.3

3、   等张比容(90.2K):929.2

4、   表面张力(dyne/cm):33.4

5、   极化率(10-24cm3):41.83

计算化学数据


1、   疏水参数计算参考值(XlogP):9.6

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:20

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):37.3

7、   重原子数量:24

8、   表面电荷:0

9、   复杂度:250

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

 

上下游相关产品

上游产品

更多
  • 116802-23-4

    N/A

  • 60-33-3

    亚油酸

  • 112-86-7

    芥酸

  • 629-80-1

    十六醛

  • 50889-29-7

    (5-羧基戊基)三苯基溴化磷

下游产品

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  • 55726-23-3

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  • 929-77-1

    山嵛酸甲酯

  • 110-94-1

    戊二酸

  • 110-15-6

    丁二酸

  • 64-19-7

    乙酸

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