17146-86-0 (一水甜菜碱,BETAINE MONOHYDRATE)

CAS号:
17146-86-0
中文名称:
一水甜菜碱
英文名称:
BETAINE MONOHYDRATE
分子式:
C5H13NO3
分子量:
135.161621809006

一水甜菜碱(17146-86-0)名称与标识符

名称

中文别名:
一水甜菜碱;三甲基甘氨酸一水合物;氨基酸保湿剂;他米巴罗汀;甜菜碱单水合物;
英文别名:
BETAINE MONOHYDRATE;BETAINE HYDRATE;BET H2O;BETAINE 1-HYDRATE;(Carboxymethyl)trimethylammonium hydroxide;betaine free base monohydrate;Betaine cryst. research grade;Trimethylglycine=TMG;BETAINE MONOHYDRATE [WHO-DD];NJZRLXNBGZBREL-UHFFFAOYSA-N;Betaine monohydrate, >=99%;trimethylglycine hydroxide;Q27163153;(trimethylazaniumyl)acetate--water (1/1);trimethylammonioacetate monohydrate;2-(trimethylammonio)acetate hydrate;BETAINE MONOHYDRATE [MI];SCHEMBL285287;17146-86-0;590-47-6;AS-13078;carboxy-N,N,N-trimethylmethanaminium hydroxide;glycine betaine hydrate;CHEMBL3181853;DTXSID7049421;AKOS015917322;NCGC00260397-01;CAS-590-47-6;2-(trimethylazaniumyl)acetate;hydrate;CS-W011064;FT-0629367;A832133;Tox21_202851;DTXCID6029381;CHEBI:91242;MFCD00150010;Betaine monohydrate, >=99.0% (NT);TPU0ITR2BR;(trimethylazaniumyl)acetate hydrate;

标识符

InChIKey:
NJZRLXNBGZBREL-UHFFFAOYSA-N
Inchi:
1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
SMILES:
[O-]C(C[N+](C)(C)C)=O.O

一水甜菜碱(17146-86-0)物化性质

实验特性

  • LogP : -1.62180
  • PSA : 49.36000
  • 溶解度 : H2O: 0.1 g/mL, clear, colorless

计算特性

  • 精确分子量 : 135.09000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 135.08954328g/mol
  • 重原子数量 : 9
  • 复杂度 : 93.1
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 41.1Ų

一水甜菜碱(17146-86-0)安全信息

一水甜菜碱(17146-86-0)海关数据

海关编码:
2923900090
海关数据:

中国海关编码:

2923900090

概述:

2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。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

Summary:

2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

一水甜菜碱(17146-86-0)相关文献

一水甜菜碱(17146-86-0) MSDS

基础信息

Name:Betaine hydrate Material Safety Data Sheet
Synonym:(Carboxymethyl)trimethylammonium hydroxide hydrat
CAS:17146-86-0
Section 1 - Chemical Product ? MSDS Name:Betaine hydrate Material Safety Data Sheet
Synonym:(Carboxymethyl)trimethylammonium hydroxide hydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
17146-86-0Betaine hydrate>98 %unlisted
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.
Skin:
May cause skin irritation.
Ingestion:
Ingestion of large amounts may cause gastrointestinal irritation.
The toxicological properties of this substance have not been fully investigated. Expected to be a low ingestion hazard.
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: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Do not induce vomiting. 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 if cough or other symptoms appear.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Wash hands before eating. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 17146-86-0: 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 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: white
Odor: Odorless.
pH: Not available.
Vapor Pressure: Negligible.
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: soluble
Specific Gravity/Density:
Molecular Formula: C5H13NO3
Molecular Weight: 135.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17146-86-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Betaine hydrate - 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.
WGK (Water Danger/Protection)
CAS# 17146-86-0: 0
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17146-86-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17146-86-0 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).


SECTION 16 - ADDITIONAL INFORMATION
N/A