13552-80-2 (十一碳酸三甘油酯,Triundecanoin Standard)

CAS号:
13552-80-2
中文名称:
十一碳酸三甘油酯
英文名称:
Triundecanoin Standard
分子式:
C36H68O6
分子量:
596.92153263092

十一碳酸三甘油酯(13552-80-2)名称与标识符

名称

中文别名:
十一烷酸甘油三酯;11碳酸三甘油酯;11碳酸三甘油酯标准品;氟他胺杂质C;三十一烷精;十一酸甘油三酯;十一碳酸三甘油酯;三(十一烷)精;十一烷酸甘油三酯(C11:0);十一烷酸甘油三酯(C11:0)溶液,1000PPM;十一碳酸甘油三酯(C11:0)标准品;
英文别名:
Undecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester;Glyceryl triundecanoate;Triundecanoin;TRIUNDECANOIN (C11:0);1,2,3-Triundecanoylglycerol Glycerol triundecanoate Triundecanoin;2,3-di(undecanoyloxy)propyl undecanoate;C11:0;AKOMED C;HENDECANOIN;TRIUNDECANIN;triundecylin;TRIUNDECANINE;tri-undecanoi;trihendecanoin;n-trihendecanoin;Triundecanoin Standard;

标识符

MDL:
MFCD00042869
InChIKey:
MBXVIRZWSHICAV-UHFFFAOYSA-N
Inchi:
1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
SMILES:
O(C(CCCCCCCCCC)=O)C(COC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O

十一碳酸三甘油酯(13552-80-2)物化性质

实验特性

  • LogP : 10.57700
  • PSA : 78.90000
  • 熔点 : 24-32 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 596.50200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 35
  • 重原子数量 : 42
  • 复杂度 : 584
  • 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) : 13.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0

十一碳酸三甘油酯(13552-80-2)安全信息

十一碳酸三甘油酯(13552-80-2)海关数据

海关编码:
2915900090
海关数据:

中国海关编码:

2915900090

概述:

2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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十一碳酸三甘油酯(13552-80-2) MSDS

基础信息

Name:Glyceryl triundecanoate 99% Material Safety Data Sheet
Synonym:Triundecanin
CAS:13552-80-2
Section 1 - Chemical Product ? MSDS Name:Glyceryl triundecanoate 99% Material Safety Data Sheet
Synonym:Triundecanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
13552-80-2Glyceryl triundecanoate99%236-935-8
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

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# 13552-80-2: 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: Mass
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 24 - 32 deg C
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: C36H68O6
Molecular Weight: 596.93

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 13552-80-2: YQ2581000 LD50/LC50:
Not available.
Carcinogenicity:
Glyceryl triundecanoate - 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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 13552-80-2: No information available.
Canada
CAS# 13552-80-2 is listed on Canada's NDSL List.
CAS# 13552-80-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13552-80-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A