102-79-4 (N-N-丁基二乙醇胺,N-Butyldiethanolamine)

CAS号:
102-79-4
中文名称:
N-N-丁基二乙醇胺
英文名称:
N-Butyldiethanolamine
安全信息:
分子式:
C8H19NO2
分子量:
161.24196267128

N-N-丁基二乙醇胺(102-79-4)名称与标识符

名称

中文别名:
N-N-丁基二乙醇胺;N-正丁基二乙醇胺;N-丁基二乙醇胺;2,2′-(丁基亚胺)二乙醇;N,N-二(β-羟乙基)正丁胺;N-Butyldiethanolamine N-丁基二乙醇胺;N-丁基-2,2'-亚胺二乙醇;N-丁基二乙醇安;丁基二乙醇胺;丁基亚胺二乙醇;正丁基二乙醇胺;2,2′-丁基亚氨基二乙醇;N,N-双(2-羟乙基)丁胺;2,2'-(丁基亚氨基)二乙醇;N-正丁基二乙醇胺,98%;
英文别名:
N-N-Butyldiethanolamine;2,2-(n-Butylimino)diethanol;N-Butyldiethanolamine,[2,2?(Butylamino)diethanol];Butylaminodiethanol;985;2,2-(n-Butylamino)diethanol;2,2'-(Butylimino)diethanol;N-Butyldiethanolamine;Butyliminodiethanol;2-[butyl(2-hydroxyethyl)amino]ethanol;N,N-Bis(2-hydroxyethyl)butylamine;BIDE;Butyldiethanolamin;TIMTEC-BB SBB008846;Butlydiethanolamine;2,2'-(Butylimino)di;BUTYL DIETHANOLAMINE;Buthyldiethanolamine;2,2(Butylamino)diethanol;2,2′-(Butylimino)diethanol;

标识符

MDL:
MFCD00002856
InChIKey:
GVNHOISKXMSMPX-UHFFFAOYSA-N
Inchi:
1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
SMILES:
CCCCN(CCO)CCO
BRN:
1739642

N-N-丁基二乙醇胺(102-79-4)物化性质

实验特性

  • LogP : 0.07310
  • PSA : 43.70000
  • 折射率 : n20/D 1.463(lit.)
  • 水溶性 : miscible
  • 沸点 : 273-275 °C/741 mmHg(lit.)
  • 熔点 : −70 °C (lit.)
  • 蒸气压 : 1 mmHg ( 25 °C)
  • 闪点 : 华氏:289.4 °F
    摄氏:143 °C
  • FEMA : 2007
  • 颜色与性状 : 无色或黄色液体,微有氨味。
  • PH值 : 10.8-11.1 (100g/l, H2O, 20℃)
  • 稳定性 : Stable. Combustible. Incompatible with strong oxidizing agents.
  • 溶解性 : 溶于水、甲醇、乙醇、乙醚、丙酮、芳香烃和油酸等,不溶于亚麻仁油、棉子油、矿物油和石蜡等。
  • 敏感性 : Hygroscopic
  • 密度 : 0.986 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 161.14200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 7
  • 同位素质量 : 161.141579
  • 重原子数量 : 11
  • 复杂度 : 72.5
  • 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) : 0.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 43.7

N-N-丁基二乙醇胺(102-79-4)安全信息

N-N-丁基二乙醇胺(102-79-4)国际标准相关数据

EINECS:
203-055-0

N-N-丁基二乙醇胺(102-79-4)海关数据

海关编码:
29221980
海关数据:

中国海关编码:

2922199090

概述:

2922199090. 其他氨基醇及其醚,酯和它们的盐(但含一种以上含氧基的除外). 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:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary:

2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-N-丁基二乙醇胺(102-79-4)参考资料

Reaxys RN:
1739642
Beilstein:
1739642
PubChem CID:

N-N-丁基二乙醇胺(102-79-4) MSDS

基础信息

Name:N-n-Butyldiethanolamine, 98% Material Safety Data Sheet
Synonym:2,2'-(Butylimino)diethanol; N-Butyldiethanolamine; Ethanol, 2,2'-(butylimino)di-; Bis(beta-hydroxyethyl)butylamine; N-Butyl-2,2'-iminodiethanol; Butlydiethanolamine
CAS:102-79-4
Section 1 - Chemical Product MSDS Name: N-n-Butyldiethanolamine, 98% Material Safety Data Sheet
Synonym: 2,2'-(Butylimino)diethanol; N-Butyldiethanolamine; Ethanol, 2,2'-(butylimino)di-; Bis(beta-hydroxyethyl)butylamine; N-Butyl-2,2'-iminodiethanol; Butlydiethanolamine
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
102-79-4N-n-Butyldiethanolamine98203-055-0
Hazard Symbols: XI
Risk Phrases: 36/37/38
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
Causes severe eye irritation and possible injury.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal tract irritation.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.
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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 102-79-4: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Viscous liquid
Color: pale yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: 1 mm Hg @ 25 C
Viscosity: Not available.
Boiling Point: 273.0 - 275.0 deg C @ 741.00m
Freezing/Melting Point: -70 deg C
Autoignition Temperature: 260 deg C ( 500.00 deg F)
Flash Point: 126 deg C ( 258.80 deg F)
Explosion Limits, lower: 1.10 vol %
Explosion Limits, upper: 6.50 vol %
Decomposition Temperature:
Solubility in water: miscible
Specific Gravity/Density: .9680g/cm3
Molecular Formula: C8H19NO2
Molecular Weight: 161.24
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Will not occur.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 102-79-4: KK0525000
LD50/LC50:
CAS# 102-79-4: Oral, rat: LD50 = 4250 mg/kg.
Carcinogenicity:
N-n-Butyldiethanolamine - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 102-79-4: 1 Canada CAS# 102-79-4 is listed on Canada's DSL List. CAS# 102-79-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 102-79-4 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 10/14/1998 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A