4-乙酰基-5-甲基异恶唑-3-甲酸乙酯

4-乙酰基-5-甲基异恶唑-3-甲酸乙酯 基本信息
CAS号 15911-11-2 分子式 C9H11NO4
分子量 197.19033 精确质量  197.06881
PSA  69.40000 LogP  1.36230

基本信息 展开↓

CAS号:
15911-11-2
3D弹球模型:
立即前往扯扯看
分子式:
C9H11NO4
分子量:
197.19033
中文名称:
4-乙酰基-5-甲基异恶唑-3-甲酸乙酯
英文名称:
3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
中文别名:
4-乙酰基-5-甲基异恶唑-3-甲酸乙酯;
5-乙基异噁唑-3,4-二羧酸二乙酯;
4-乙酰-5-甲基异恶唑-3-羧酸乙酯
英文别名:
3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester;
4-Acetyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester
精确分子量/精确质量:
197.06881
极性分子表面积/PSA:
69.40000
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: KABXFHWGNZLDTD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.176g/cm3
沸点:
339.9ºC at 760mmHg
闪点:
159.4ºC
折射率:
1.483
蒸汽压:
8.91E-05mmHg at 25°C

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 216962-12-8

    3-isoxazolecarboxylic acid 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-ethyl ester

  • ~92%

  • 15911-11-2

    4-乙酰基-5-甲基异恶唑-3-甲酸乙酯

  • 14337-43-0

    氯代肟基乙酸乙酯

  • +

  • 123-54-6

    乙酰丙酮

  • ~80%

  • 15911-11-2

    4-乙酰基-5-甲基异恶唑-3-甲酸乙酯

  • 626-35-7

    硝基乙酸乙酯

  • +

  • 123-54-6

    乙酰丙酮

  • ~48%

  • 15911-11-2

    4-乙酰基-5-甲基异恶唑-3-甲酸乙酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY2360000
CHEMICAL NAME :
3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
CAS REGISTRY NUMBER :
15911-11-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H11-N-O4
MOLECULAR WEIGHT :
197.21
WISWESSER LINE NOTATION :
T5NOJ C1 DV1 EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,885,1969

MSDS 展开↓

Name: Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate Material Safety Data Sheet
Synonym:
CAS: 15911-11-2
Section 1 - Chemical Product   MSDS Name:Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15911-11-2 Ethyl 4-acetyl-5-methylisoxazole-3-car 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes 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:
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. 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 cool, dry place. Store in a tightly closed container.

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# 15911-11-2: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 deg C @0.3mm Hg
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: C9H11NO4
Molecular Weight: 197.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 15911-11-2: NY2360000 LD50/LC50:
CAS# 15911-11-2: Oral, rat: LD50 = 1 gm/kg.
Carcinogenicity:
Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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.
WGK (Water Danger/Protection)
CAS# 15911-11-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15911-11-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15911-11-2 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%

上下游相关产品

上游产品

更多
  • 14337-43-0

    氯代肟基乙酸乙酯

  • 123-54-6

    乙酰丙酮

  • 95080-93-6

    Acetic acid, 2-chloro-2-(hydroxyimino)-, ethyl ester, (2Z)-

  • 216962-12-8

    3-isoxazolecarboxylic acid 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-ethyl ester

  • 626-35-7

    硝基乙酸乙酯

下游产品

更多
  • 25505-97-9

    3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

  • 15911-16-7

    3,4-二甲基-6H-异噁唑并[3,4-d]哒嗪-7-酮

  • 15911-15-6

    3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

  • 3141-59-1

    2-acetyl-3-oxobutanenitrile

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便