126-13-6 (乙酸异丁酸蔗糖酯,Sucrose diacetate hexaisobutyrate)

CAS号:
126-13-6
中文名称:
乙酸异丁酸蔗糖酯
英文名称:
Sucrose diacetate hexaisobutyrate
分子式:
C40H62O19
分子量:
846.908895015717

乙酸异丁酸蔗糖酯(126-13-6)名称与标识符

名称

中文别名:
乙酸异丁酸蔗糖酯;6-O-乙酰氧-2,3,4-三(2-甲基丙酰氧)-β-D-呋喃果糖-6-乙酰基-1,3,4-三-O-(2-甲基-1-氧丙基)-α-D-吡喃葡糖苷;还原黄48;蔗糖乙酸酯异丁酸酯;乙酸异丁酸蔗糖酯[合成];二乙酸六异丁酸蔗糖酯;蔗糖乙酸异丁酸酯 溶液;食品级乙酸异丁酸蔗糖酯;乙酸异丁酸蔗糖酯90% 甜橙萜10%;乙酸蔗糖异丁酸酯溶液;
英文别名:
Sucrose diacetate hexaisobutyrate;SAIB;Sucrose acetate isobutyrate;SUCROSE DIACETATE HEXAISOBUTYRATE (PRACT);Saccharoseacetateisobutyrate;SAIB-100;saib100s;saib-90;saib-90ea;SAIB-SG;SAIB-SG-ET-10;sucroseacetoisobutyrate;Sucrosediacetateisobutyrate;Sucrose acetate isobutyrate [synthesis];6-o-acetyl-1,3,4-tris-o-(2-methyl-1-oxopropyl)- beta-alpha-d-glucopyranosid;Saccharose acetate isobutyrate;sucrose, diacetate hexaisobutyrate;d-fructofuranosyl,6-acetate2,3,4-tris(2-methylpropanoate);fructofuranosyl,6-acetate2,3,4-tris(2-methylpropanoate);isobutyricacid,hexaesterwithsucrosediacetate;6-o-acetyl-1,3,4-tris-o-(2-methyl-1-oxopropyl)-beta-alpha-d-glucopyranosid;6-o-acetyl-1,3,4-tris-o-(2-methyl-1-oxopropyl)-beta-d-alpha-d-glucopyranosid;

标识符

InChIKey:
ZNEBZIJCDDCNRC-SWTLDUCYSA-N
Inchi:
1S/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
SMILES:
O([C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C)[C@@]1(O[C@H](COC(=O)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)COC(=O)C(C)C

乙酸异丁酸蔗糖酯(126-13-6)物化性质

实验特性

  • LogP : 2.98740
  • PSA : 238.09000
  • 折射率 : n20/D 1.446
  • 沸点 : 78 °C
  • 熔点 : −83 °C
  • 蒸气压 : 40 mm Hg ( 20 °C)
  • 闪点 : 70 °F
  • 颜色与性状 : 无色或浅黄色透明膏状物
  • 溶解性 : 易溶于乙醇、酮类和酯类溶剂,微溶于水
  • 密度 : 1.146 g/mL at 25 °C

计算特性

  • 精确分子量 : 846.38900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 27
  • 重原子数量 : 59
  • 复杂度 : 1500
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : 5.3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 238

乙酸异丁酸蔗糖酯(126-13-6)国际标准相关数据

EINECS:
204-771-6

乙酸异丁酸蔗糖酯(126-13-6)海关数据

海关编码:
2938909090
海关数据:

中国海关编码:

2938909090

乙酸异丁酸蔗糖酯(126-13-6)推荐厂家 更多厂家(37)

公司名称手机号/电话联系人QQ微信询单
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湖北摆渡化学有限公司 13517219350
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乙酸异丁酸蔗糖酯(126-13-6)相关文献

乙酸异丁酸蔗糖酯(126-13-6) MSDS

基础信息

Name:Sucrose Diacetate Hexaisobutyrate (Pract) Material Safety Data Sheet
Synonym:Sucrose Acetate Isobutyrate; Isobutyric Acid, Hexaester with Sucrose Diacetate (8CI)
CAS:126-13-6
Section 1 - Chemical Product ? MSDS Name:Sucrose Diacetate Hexaisobutyrate (Pract) Material Safety Data Sheet
Synonym:Sucrose Acetate Isobutyrate; Isobutyric Acid, Hexaester with Sucrose Diacetate (8CI)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
126-13-6Sucrose Diacetate Hexaisobutyrate (Praca. 100%204-771-6
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:
May cause irritation of the digestive tract. 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.
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. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 126-13-6: 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 minimize contact with skin.
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: light 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 applicable.
Flash Point: 260 deg C ( 500.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1500g/cm3
Molecular Formula: C40H62O19
Molecular Weight: 846.91

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# 126-13-6: WN6550000 LD50/LC50:
Not available.
Carcinogenicity:
Sucrose Diacetate Hexaisobutyrate (Pract) - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 126-13-6: No information available.
Canada
CAS# 126-13-6 is listed on Canada's DSL List.
CAS# 126-13-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 126-13-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A