16493-04-2 (5-硝基巴比妥酸,3-Butoxycyclohex-2-en-1-one)

快速询单

结构式：

5-硝基巴比妥酸MOL文件

CAS号：

16493-04-2

中文名称：

5-硝基巴比妥酸

英文名称：

3-Butoxycyclohex-2-en-1-one

分子式：

C₁₀H₁₆O₂

分子量：

168.232843399048

5-硝基巴比妥酸(16493-04-2)名称与标识符

名称

中文别名：

3-丁氧基-2-环己烯-1-酮;5-硝基巴比妥酸;

英文别名：

3-Butoxycyclohex-2-enone;2-Cyclohexen-1-one,3-butoxy-;1-Butoxy-3-oxocyclohex-2-ene;2-Cyclohexen-1-one,3-butoxy;3-butanoxycyclohex-2-en-1-one;3-butoxy-2-cyclohexenone;3-Butoxy-cyclohex-2-enon;3-butoxy-cyclohex-2-enone;3-n-butoxy-2-cyclohexen-1-one;BUCH;3-Butoxycyclohexen-1-one;3-BUTOXY CYCLOHEXENE-1-ONE;3-BUTOXYCYCLOHEX-2-EN-1-ONE;3-Butoxy-2-cyclohexen-1-one;3-NBUTOXY CYCLOHEX-2-ENE-1-ONE;SCHEMBL10248266;2-Cyclohexen-1-one, 3-butoxy-;AKOS022181850;9TB43467WX;DTXSID40167823;AS-9186;CS-0328582;AI3-08102;FT-0615270;EINECS 240-557-9;16493-04-2;MFCD00190682;NS00025397;

标识符

MDL：

MFCD00190682

InChIKey：

HQFGJBVERCJECK-UHFFFAOYSA-N

Inchi：

1S/C10H16O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h8H,2-7H2,1H3

SMILES：

O(CCCC)C1=CC(CCC1)=O

5-硝基巴比妥酸(16493-04-2)物化性质

实验特性

LogP : 2.44000
PSA : 26.30000
折射率 : 1.468
沸点 : 280.6±29.0 ºC (760 Torr),
闪点 : 121.1±17.8 ºC,
溶解度 : 微溶 (2.2 g/L) (25 ºC),
密度 : 0.97±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 168.11500
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 168.115
重原子数量 : 12
复杂度 : 182
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.8
拓扑分子极性表面积 : 26.3A^2

5-硝基巴比妥酸(16493-04-2)安全信息

安全术语： S36/37
安全说明： S36/37
风险术语： R20/21/22
危险品标志： Xi
危害声明：Irritant

5-硝基巴比妥酸(16493-04-2)国际标准相关数据

EINECS：

240-557-9

5-硝基巴比妥酸(16493-04-2)海关数据

海关编码：

2914509090

海关数据：

中国海关编码：

2914509090

概述：

2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

Summary：

HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

5-硝基巴比妥酸(16493-04-2) MSDS

基础信息

Name:	3-Butoxycyclohex-2-en-1-one 97% Material Safety Data Sheet
Synonym:
CAS:	16493-04-2

Section 1 - Chemical Product ? MSDS Name:3-Butoxycyclohex-2-en-1-one 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16493-04-2	3-Butoxycyclohex-2-en-1-one	97%	240-557-9

Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. 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 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# 16493-04-2: 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: Liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C10H16O2
Molecular Weight: 168

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16493-04-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Butoxycyclohex-2-en-1-one - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 16493-04-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16493-04-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16493-04-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A