16713-80-7 (6,7-二甲基-2,3-二氢-1H-茚-1-酮,3-O-Acetyl-1,2:5,6-di-O-isopropylidene-a-D-glucofuranose)

快速询单

结构式：

6,7-二甲基-2,3-二氢-1H-茚-1-酮MOL文件

CAS号：

16713-80-7

中文名称：

6,7-二甲基-2,3-二氢-1H-茚-1-酮

英文名称：

3-O-Acetyl-1,2:5,6-di-O-isopropylidene-a-D-glucofuranose

分子式：

C₁₄H₂₂O₇

分子量：

302.320285320282

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)名称与标识符

名称

中文别名：

3-O-乙酰基-1,2:5,6-二-O-异丙基-α-D-呋喃(型)葡萄糖;3-O-乙酰基-1,2:5,6-二-O-异亚丙基-α-D-呋喃葡萄糖;6,7-二甲基-2,3-二氢-1H-茚-1-酮;3-O-乙酰基-1,2:5,6-二-O-异丙基-Alpha-D-呋喃(型)葡萄糖;

英文别名：

a-D-Glucofuranose,1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate;[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate;3-O-ACETYL-1,2:5,6-DI-O-ISOPROPYLIDENE-A-D-GLUCOFURANOSE;3-O-Acetyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose;1,2:5,6-di-O-isopropylidene-3-acetyl-D-glucofuranose;3-O-acetyl-1,2,5,6-diisopropylidene-D-glucose;Diaceton-D-glucosylacetat;BRN 0033303;a-D-Glucofuranose,1,2:5,6-bis-O-(1-methylethylidene)-,3-acetate;alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, acetate;16713-80-7;3-O-Acetyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose;alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate;(3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl acetate;(3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ylacetate;SCHEMBL10883648;38166-65-3;3-Acetyl-1,2:5,6-di-O-isopropylidene- alpha -D-galactofuranose;AKOS027383390;1,2:5,6-Bis-O-(1-methylethylidene)-alpha-D-glucofuranose acetate;MFCD00074968;G84719;1,2,5,6-DI-O-ISOPROPYLIDENE-A-D-GLUCOFURANOSE 3-ACETATE;

标识符

MDL：

MFCD00074968

InChIKey：

QZKDRLZSJSWQPS-RMPHRYRLSA-N

Inchi：

1S/C14H22O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1

SMILES：

O1[C@H]2[C@@H]([C@H]([C@H]1[C@H]1COC(C)(C)O1)OC(C)=O)OC(C)(C)O2

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)物化性质

实验特性

LogP : 0.94600
PSA : 72.45000
折射率 : 1.6380 (estimate)
沸点 : 403.35°C (rough estimate)
熔点 : 60-62 °C(lit.)
闪点 : 147.5°C
颜色与性状 : 未确定
溶解性 : 未确定
比旋光度 : -37°(c=1,CHCl3,25℃)
密度 : 1.2585 (rough estimate)

计算特性

精确分子量 : 302.13700
氢键供体数量 : 0
氢键受体数量 : 7
可旋转化学键数量 : 3
同位素质量 : 302.136553
重原子数量 : 21
复杂度 : 433
同位素原子数量 : 0
确定原子立构中心数量 : 5
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） : 0.6
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 72.4

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)安全信息

RTECS号： LZ4910000
WGK Germany： 2
安全术语： S24/25
安全说明： S24/25
风险术语： R36/37/38
危险品标志： Xi
储存条件： 0-6°C
危险类别码： 36/37/38

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)海关数据

海关编码：

29389090

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)推荐厂家更多厂家(6)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海甄准生物科技有限公司	18217024652 021-68920155	张经理18217024652	3001084617	询单
金锦乐（湖南）化学有限公司		金锦乐	800181905	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
杭州六可生物科技有限公司	15658003402 0086-571-86912261	Susan	3671025517	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7)上下游

二丙酮-D-葡萄糖 5,6-二-氧-异亚丙基-α-D-呋喃葡萄糖苷

6,7-二甲基-2,3-二氢-1H-茚-1-酮(16713-80-7) MSDS

基础信息

Name:	3-O-Acetyl-1 2:5 6-Di-O-Isopropylidene-Alpha-D-Glucofuranose 98% Material Safety Data Sheet
Synonym:	1,2:5,6-Bis-O-(1-Methylethylidene)-Alpha-D-glucofuranose Acetate
CAS:	16713-80-7

Section 1 - Chemical Product ? MSDS Name:3-O-Acetyl-1 2:5 6-Di-O-Isopropylidene-Alpha-D-Glucofuranose 98% Material Safety Data Sheet
Synonym:1,2:5,6-Bis-O-(1-Methylethylidene)-Alpha-D-glucofuranose Acetate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16713-80-7	3-O-Acetyl-1,2:5,6-Di-O-Isopropylidene	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:
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. 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:

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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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# 16713-80-7: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 60 - 62 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C14H22O7
Molecular Weight: 302.1498

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16713-80-7: LZ4910000 LD50/LC50:
CAS# 16713-80-7: Oral, mouse: LD50 = >4 gm/kg.
Carcinogenicity:
3-O-Acetyl-1,2:5,6-Di-O-Isopropylidene-Alpha-D- Glucofuranose - 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.
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# 16713-80-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16713-80-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16713-80-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A