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5-羟基戊醛 | 4221-03-8

5-羟基戊醛
5-Hydroxypentanal
4221-03-8
C5H10O2
102.1317
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-羟基戊醛结构式
5-羟基戊醛MOL
20205
名称和标识符
MDL MFCD00044411
InChIKey CNRGMQRNYAIBTN-UHFFFAOYSA-N
Inchi 1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
SMILES O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=O
别名信息
- 中文别名 -
  • 5-羟基戊醛
- 英文别名 -
  • 5-Hydroxypentanal
  • Pentanal, 5-hydroxy-
  • 5-Hydroxyvaleraldehyde
  • EINECS 224-165-5
  • Pentanal,5-hydroxy
  • 5-hydroxy-pentanal
  • 5-?Hydroxypentanal
  • CNRGMQRNYAIBTN-UHFFFAOYSA-N
  • BCP10790
  • NSC62080
  • FCH831434
  • Z3600
  • ST24044791
  • A20414
  • Q27460635
物化性质
实验特性
LogP 0.34790
PSA 37.30000
折射率 1.4300 (estimate)
沸点 115-122℃
密度 1.0500
计算特性
精确分子量 102.06800
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 4
重原子数量 7
复杂度 43.3
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) -0.3
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 37.3
安全信息
安全术语 S24/25
安全说明 S24/25
危险品运输编号 1993
PackingGroup
HazardClass 3
国际标准相关数据
EINECS 62080
海关数据
海关编码 2912491000
海关数据

中国海关编码:

2912491000

概述:

2912491000. 醛醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

Summary:

2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

专业数据库参考
PubChemId 20205
5-羟基戊醛 MSDS
基础信息
Name: 5-Hydroxypentanal Tech. Material Safety Data Sheet
Synonym: 5-Hydroxyvaleraldehyd
CAS: 4221-03-8
Section 1 - Chemical Product ? MSDS Name:5-Hydroxypentanal Tech. Material Safety Data Sheet
Synonym:5-Hydroxyvaleraldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4221-03-8 5-Hydroxypentanal 100 224-165-5
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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 immediately. 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. Containers may explode in the heat of a fire. Vapors may be heavier than air.
They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 4221-03-8: 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:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. 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: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 115 deg C @ 15.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0550g/cm3
Molecular Formula: C5H10O2
Molecular Weight: 102.13

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, 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# 4221-03-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Hydroxypentanal - 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
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: 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# 4221-03-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4221-03-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4221-03-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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