62147-49-3 (1,3-二羟基丙酮二聚体,trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol)

CAS号:
62147-49-3
中文名称:
1,3-二羟基丙酮二聚体
英文名称:
trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol
安全信息:
分子式:
C6H12O6
分子量:
180.155882835388
相关分类:

1,3-二羟基丙酮二聚体(62147-49-3)名称与标识符

名称

中文别名:
1,3-二羟基丙酮二聚体;1,3-二羟基***二聚体;1,3-二羟基丙酮;苯乙烯基乙基三甲氧基硅烷;1,3-二羟基丙酮二醚;1,3-二羟基二甲基酮;二聚二羟基丙酮;二羟丙酮二聚体;二羟基丙酮;二羟基丙酮, 1,3-二羟基二甲基酮;
英文别名:
1,3-Dihydroxyacetone dimer;(2R,5S)-Dihydroxy-1,4-dioxane-2,5-methanol;2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol;Dihydroxyacetone dimer;2,5-Dihydroxydioxane-2,5-dimethanol;1,3-Dihydroxyacetone;1,3-DihydroxydiMethyl ketone;DHA Dimer;KetochroMin;Protosol;1,3-Dihydroxyacetone dimmer;trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol;(2R,5S)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol;trans-2,5-Dihydroxy-1,4-Dioxane-2,5-dimethanol;1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, trans-;(2R)-2,5-Dihydroxy-1,4-dioxane-2alpha,5beta-dimethanol;1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel-;1,4-Dioxane-2,5- dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-;2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol;2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol;CHEBI:173855;SCHEMBL229379;2-Propanone,1,3-dihydroxy-,dimer;EN300-53035;SY225622;62147-49-3;DS-8450;BCP30553;DA-01366;1,3-Dihydroxyacetone dimer, 97%;D0560;J-507273;D95312;MFCD29050396;DTXSID401314347;F0001-2347;2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol;89727-88-8;DIHYDROXYACETONE (DIMER);2,5-bis(hydroxymethyl)-(2,5-13C2)1,4-dioxane-2,5-diol;MFCD00051019;1,3-Dihydroxypropan-2-one dimer;AKOS009158772;1 pound not3-Dihydroxypropan-2-one dimer;NS00022523;26776-70-5;1.3-dihydroxyacetone dimer;

标识符

MDL:
MFCD00051019
InChIKey:
KEQUNHIAUQQPAC-UHFFFAOYSA-N
Inchi:
1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
SMILES:
O1CC(CO)(O)OCC1(CO)O
BRN:
112910

1,3-二羟基丙酮二聚体(62147-49-3)物化性质

实验特性

  • LogP : -2.60500
  • PSA : 99.38000
  • Merck : 14,3182
  • 折射率 : 1.5730 (estimate)
  • 水溶性 : Soluble in ethanol, ethyl ether, acetone. Slightly soluble in water. Insoluble in ligroin.
  • 沸点 : 232.96°C (rough estimate)
  • 熔点 : 75-80 ºC
  • 闪点 : 224.7 °C
  • 颜色与性状 : 微白色粉末。
  • 稳定性 : Stable. Incompatible with strong oxidizing agents. Protect from moisture.
  • 溶解性 : 溶于水,乙醇,微溶于乙醚。
  • 敏感性 : Hygroscopic
  • 密度 : 1.2805 (rough estimate)

计算特性

  • 精确分子量 : 180.06300
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 2
  • 同位素质量 : 180.063
  • 重原子数量 : 12
  • 复杂度 : 144
  • 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 : 2
  • 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) : -3.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 99.4

1,3-二羟基丙酮二聚体(62147-49-3)安全信息

1,3-二羟基丙酮二聚体(62147-49-3)国际标准相关数据

EINECS:
202-494-5

1,3-二羟基丙酮二聚体(62147-49-3)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-二羟基丙酮二聚体(62147-49-3)生产方法和用途

用途:
有机合成;生化研究,半乳糖氧化酶的底物,人造鞣剂。

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1,3-二羟基丙酮二聚体(62147-49-3)相关文献

1,3-二羟基丙酮二聚体(62147-49-3)参考资料

Beilstein:
1,846
PubChem CID:

1,3-二羟基丙酮二聚体(62147-49-3) MSDS

基础信息

Name:1 3-Dihydroxyacetone Dimer 98% Material Safety Data Sheet
Synonym:Dihydroxyacetone, Dimer
CAS:62147-49-3
Section 1 - Chemical Product ? MSDS Name:1 3-Dihydroxyacetone Dimer 98% Material Safety Data Sheet
Synonym:Dihydroxyacetone, Dimer

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
62147-49-31,3-Dihydroxyacetone, Dimer, 98%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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. Do not get water inside containers.

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. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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# 62147-49-3: 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:
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: Crystalline powder
Color: white to off-white
Odor: sweet, fruity odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70.00 - 80.00 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: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C6H12O6
Molecular Weight: 180.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Strong 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# 62147-49-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dihydroxyacetone, Dimer, 98% - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 62147-49-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62147-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62147-49-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A