双丙酮半乳糖

双丙酮半乳糖 基本信息
CAS号 4064-06-6 分子式 C12H20O6
分子量 260.28 精确质量 　260.12599
PSA 　66.38000 LogP 　0.37520
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等价的CAS号：

4064-06-6,27108-09-4,72361-04-7,99166-41-3,110319-61-4,148623-63-6,150199-47-6,70932-37-5
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4064-06-6
3D弹球模型：
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分子式：
C12H20O6
分子量：
260.28
中文名称：
双丙酮半乳糖
英文名称：
α-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-
中文别名：
双丙酮半乳糖;
1,2:3,4-二-O-异亚丙基-D-吡喃半乳糖;
1,2:3,4-二-O-异亚丙基-α-D-吡喃半乳糖;
1,2:3,4-氧-异亚丙基-α-Ｄ-呋喃半乳糖;
双丙酮-D-半乳糖;
二丙酮-D-半乳糖;
1,2:3,4-氧-异丙叉基-α-Ｄ-呋喃半乳糖
英文别名：
α-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-;
1,2:3,4-Di-O-isopropylidene-D-galactopyranose;
diisopropylidene-Gal-OH;
1,2,3,4-di-O-Isopropylidenegalactopyranose;
DIACETONE-D-GALACTOSE;
Diisopropylidene Galactose;
1,2:3,4-Di-O-isopropylidene-Alpha-D-galactopyranose;
2,2,7,7-tetramethyl-(3aR,5R,5aS,8aS,8bR)-perhydrodi-1,3-dioxolo[4,5-b:4',5'-d]pyran-5-yl methanol;
Diacetone-D-galactose;
1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose;
(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methanol;
(2,2,7,7-tetramethyltetrahydrobis[1,3]dioxolo[5,4-b:4',5'-d]pyran-5-yl)methanol;
Diisopropylidenegalactose;
1,2:3,4-Di-O-isoprop;
1,2:3,4-Di-O-isopropylidene-D-Galactopyranose;
Diisopropylidenegalactopyranose;
1,2:3,4-Di-O-isopropylidene-D-galactose;
1,2,3,4-DI-O-ISOPROPYLIDENE-D-GALACTOPYRANOSE;
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethylperhydrodi[1,3]dioxolo[4,5-b:4,5-d]pyran-5-ylmethanol
精确分子量/精确质量：
260.12599
极性分子表面积/PSA：
66.38000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00063225
EINECS：
223-771-7
PubChem：
24863645
InChI：
InChI=1/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1

物化性质展开↓

外观与性状：
透明无色透明液体
密度：
1.154±0.06 g/cm3
熔点：
91-100 °C
沸点：
366.8±0.0 °C
闪点：
159.3±26.5 °C
水溶解性：
Slightly Soluble (6.8 g/L)
折射率：
n20/D 1.466(lit.)
蒸汽压：
7.17E-07mmHg at 25°C
蒸汽密度：
7.17E-7 Torr
存储条件/存储方法：

避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

安全信息展开↓

海关代码：
2914400090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
36/37/38
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。
危险标志：
Xi

合成路线查看所有的合成路线

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    双丙酮半乳糖

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    1,2:3,4-di-O-isopropylidene-6-O-(2,2,6,6-tetramethyl-1-piperidinyl)-α-D-galactopyranose

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    ~99%

  • 4064-06-6

    双丙酮半乳糖

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    2771-58-6

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    ~99%

  • 4064-06-6

    双丙酮半乳糖

化学图谱

  1. 1,2:3,4-二-O-异亚丙基-D-吡喃半乳糖红外图谱(IR1)

  2. 1,2:3,4-二-O-异亚丙基-D-吡喃半乳糖质谱(MS)

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毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

MSDS 展开↓

Name: 1 2:3 4-Di-O-isopropylidene-D-galactopyranose 97% Material Safety Data Sheet
Synonym: None
CAS: 4064-06-6
Section 1 - Chemical Product   MSDS Name:1 2:3 4-Di-O-isopropylidene-D-galactopyranose 97% Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4064-06-6 1,2:3,4-Di-O-isopropylidene-D-galactop 97 223-771-7
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: Immediately 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.
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:
Cover with sand, dry lime or soda ash and place in a closed container for disposal. 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:
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# 4064-06-6: 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 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: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 117 deg C @ .01mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.1430g/cm3
Molecular Formula: C12H20O6
Molecular Weight: 260.28
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, 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# 4064-06-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2:3,4-Di-O-isopropylidene-D-galactopyranose - 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# 4064-06-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4064-06-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4064-06-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2914400090

概述：
2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 丙酮报明包装
摘要/Summary：
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：61.28

2、  摩尔体积（cm3/mol）：225.5

3、  等张比容（90.2K）：567.9

4、  表面张力（dyne/cm）：40.2

5、  极化率（10-24cm3）：24.29

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