反式-2,3-二甲基丙烯酸

反式-2,3-二甲基丙烯酸 基本信息
CAS号 13201-46-2 分子式 C5H8O2
分子量 100.11600 精确质量 　100.05200
PSA 　37.30000 LogP 　1.03720
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
13201-46-2
3D弹球模型：
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分子式：
C5H8O2
分子量：
100.11600
中文名称：
反式-2,3-二甲基丙烯酸
英文名称：
2-methylbut-2-enoic acid
中文别名：
反式-2,3-二甲基丙烯酸;
2-甲基丁-2-烯酸
英文别名：
2-methylbut-2-enoic acid;
2',3'-dimethyl-acetophenone;
2,3-dimethylacrylic acid;
2-METHYLBUT-2-ENOIC ACID;
2-METHYL-2-BUTENOIC ACID;
2-BUTENOIC ACID,2-METHYL-;
methylmethacrylic acid;
Dimethyl-4-phenylenediamine;
3,4-dimethylacetophenone;
dimethylphenylacetoaldehyde;
2-METHYLBUT-2-ENOICACID;
2-methyl but-2-enoic acid;
3-acetyl-1,2-dimethylbenzene;
TIGLIC ACID
精确分子量/精确质量：
100.05200
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。
EINECS：
201-295-0
BRN：
8541120
InChI：
The Key: UIERETOOQGIECD-UHFFFAOYSA-N

物化性质展开↓

密度：
1.01g/cm3
熔点：
61-64ºC(lit.)
沸点：
95-96ºC12 mm Hg(lit.)
闪点：
96ºC
折射率：
1.45
蒸汽压：
0.152mmHg at 25°C
稳定性相关：

1. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶、烟气中。

其它信息：

1. 性状：无色三斜片状结晶或棒状物，有辛辣气味。

2. 溶解性：溶于热水，能溶于乙醇、乙醚。

3. 沸点（ºC）：95~96（1.6kpa）

4. 熔点（ºC）：61~64

5. 闪点（ºC）：96

6. 相对密度(d254)   ：0.969

7.  折射率(n47D)：1.4434

安全信息展开↓

海关代码：
2916190090
危险类别码：
R34
安全说明：
26-36/37/39-45
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。
:
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
危险标志：
C: Corrosive;

合成路线查看所有的合成路线

  • 124-38-9

    二氧化碳

  • +

  • 106-99-0

    1,3-丁二烯

  • →

  • 5204-64-8

    3-戊烯酸

  • +

  • 53774-20-2

    2-甲基-3-丁酸

MSDS 展开↓

Name: 2-Methylbut-2-enoic acid 97% Material Safety Data Sheet
Synonym: 2,3-Dimethylacrylic aci
CAS: 13201-46-2
Section 1 - Chemical Product   MSDS Name:2-Methylbut-2-enoic acid 97% Material Safety Data Sheet
Synonym:2,3-Dimethylacrylic aci
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13201-46-2 2-Methylbut-2-enoic acid 97% 236-167-3
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.
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 foam, dry chemical, or carbon dioxide.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.
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# 13201-46-2: 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: Solid
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 95 - 96 deg C @11.5mmHg
Freezing/Melting Point: 63 - 64 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:
Specific Gravity/Density:
Molecular Formula: C5H8O2
Molecular Weight: 100
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13201-46-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methylbut-2-enoic 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 13201-46-2: No information available.
Canada
CAS# 13201-46-2 is listed on Canada's DSL List.
CAS# 13201-46-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13201-46-2 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：2916190090

概述：
2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
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：
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。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：26.67

2、  摩尔体积（cm3/mol）：99.1

3、  等张比容（90.2K）：236.2

4、  表面张力（dyne/cm）：32.2

5、  极化率（10-24cm3）：10.57

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