(5-甲基异恶唑-3-基)甲醇

(5-甲基异恶唑-3-基)甲醇 基本信息
CAS号 35166-33-7 分子式 C5H7NO2
分子量 113.11500 精确质量  113.04800
PSA  46.26000 LogP  0.47530

基本信息 展开↓

CAS号:
35166-33-7
3D弹球模型:
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分子式:
C5H7NO2
分子量:
113.11500
中文名称:
(5-甲基异恶唑-3-基)甲醇
英文名称:
(5-methyl-1,2-oxazol-3-yl)methanol
中文别名:
(5-甲基异恶唑-3-基)甲醇;
3-羟甲基-5-甲基异恶唑
英文别名:
(5-methyl-1,2-oxazol-3-yl)methanol;
(5-METHYL-3-ISOXAZOLYL)METHANOL;
3-hydroxymethyl-5-methylisoxazole;
5-methyl-3-isoxazolemethanol;
(5-methyl-isoxazol-3-yl)-methanol;
(5-Methyl-isoxazol-3-yl)-methanol;
5-Methylisoxazol-3-methanol;
(5-Methylisoxazol-3-yl)methanol;
(5-methyl-3-isoxazolyl)methanol;
5-methylisoxazole-3-methanol;
3-Hydroxymethyl-5-Methylisoxazole
精确分子量/精确质量:
113.04800
极性分子表面积/PSA:
46.26000
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:
InChI=1/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3

物化性质展开↓

密度:
1.183g/cm3
沸点:
64ºC (0.2 mmHg)
闪点:
102.6ºC
折射率:
1.496

安全信息展开↓

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
S24/25
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 3209-72-1

    5-甲基-3-异噁唑羧酸乙酯

  • ~86%

  • 35166-33-7

    (5-甲基异恶唑-3-基)甲醇

  • 19788-35-3

    5-甲基异恶唑-3-羧酸甲酯

  • ~74%

  • 35166-33-7

    (5-甲基异恶唑-3-基)甲醇

  • 3511-32-8

    5-甲基呋喃-3(2H)-酮

  • 14716-89-3

    3-甲基异唑-5-甲醇

  • +

  • 35166-33-7

    (5-甲基异恶唑-3-基)甲醇

MSDS 展开↓

Name: (5-Methylisoxazol-3-yl)methanol tech Material Safety Data Sheet
Synonym: 3-Hydroxymethyl-5-methylisoxazol
CAS: 35166-33-7
Section 1 - Chemical Product   MSDS Name:(5-Methylisoxazol-3-yl)methanol tech Material Safety Data Sheet
Synonym:3-Hydroxymethyl-5-methylisoxazol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
35166-33-7 (5-Methylisoxazol-3-yl)methanol 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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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 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.

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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35166-33-7: 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: Liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 - 80 deg C @0.5mmHg
Freezing/Melting Point: Not available.
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: C5H7NO2
Molecular Weight: 113

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, acid chlorides.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 35166-33-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(5-Methylisoxazol-3-yl)methanol - 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.
WGK (Water Danger/Protection)
CAS# 35166-33-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35166-33-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35166-33-7 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:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):-0.1

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积:46.3

7.重原子数量:8

8.表面电荷:0

9.复杂度:76.8

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

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