1,2,3-己三醇 - CAS号 90325-47-6

物化性质

熔点：

67-69 °C(lit.)
沸点：

187.29°C (rough estimate)
密度：

1.0275 (rough estimate)
稳定性/保质期：

按规定使用和贮存的不会分解，避免潮湿。

计算性质

辛醇/水分配系数(LogP)：

-0.4
重原子数：

9
可旋转键数：

4
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

60.7
氢给体数：

3
氢受体数：

3

安全信息

安全说明：

S22,S24/25
WGK Germany：

3

SDS

SDS：8be8a51b5ef9e75b4a9abe933e1f40ed

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Name:	1 2 3-Hexanetriol Material Safety Data Sheet
Synonym:	1,2,3-Trihydroxyhexan
CAS:	90325-47-6

Section 1 - Chemical Product MSDS Name:1 2 3-Hexanetriol Material Safety Data Sheet
Synonym:1,2,3-Trihydroxyhexan

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
90325-47-6	1,2,3-Hexanetriol	100%	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.Hygroscopic (absorbs moisture from the air).
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.
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 dry area. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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# 90325-47-6: 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:
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: Chunks
Color: white granular
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 65.6 - 66.2 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: moderately soluble
Specific Gravity/Density:
Molecular Formula: C6H14O3
Molecular Weight: 134.18

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing 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# 90325-47-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3-Hexanetriol - 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.
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# 90325-47-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90325-47-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90325-47-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

1,2,3-己三醇在甲酸作用下，以56%的产率得到1-己烯-3-醇

参考文献：

名称：

An efficient didehydroxylation method for the biomass-derived polyols glycerol and erythritol. Mechanistic studies of a formic acid-mediated deoxygenation

摘要：

发现了一种高效的1,2-脱氧方法，涉及一种意外的机理，适用于简单二醇和生物质衍生多元醇（甘油和赤藓糖醇），能够将1,2-二羟基转化为碳-碳双键。

DOI：

10.1039/b907746d
作为产物：

描述：

1-己烯-3-醇在 ruthenium trichloride sodium periodate 作用下，以乙酸乙酯、乙腈为溶剂，反应 0.05h，以100%的产率得到1,2,3-己三醇

参考文献：

名称：

Enhancing selectivity in oxidation catalysis with sol–gel nanocomposites

摘要：

使用掺入有机催化剂 TEMPO 的溶胶疏水纳米结构二氧化硅基质，可以轻松合成δ-羟基酸等有价值的有机化合物，并提高了相关的选择性：这是一种基于材料科学的合成路线，无法通过经典的均相合成实现。

DOI：

10.1039/b505949f

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文献信息

METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH

申请人：BASF SE

公开号：US20170260115A1

公开（公告）日：2017-09-14

A process for preparing trans-enriched MDACH, including: distilling an MDACH starting mixture in the presence of an auxiliary, which is an organic compound having a molar mass of 62 to 500 g/mol, a boiling point at least 5° C. above the boiling point of cis,cis-2,6-diamino-1-methylcyclohexane, and 2 to 4 functional groups, each of which is independently an alcohol group or a primary, secondary or tertiary amino group. The MDACH starting mixture includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, based on the total amount of MDACH present in the MDACH starting mixture. The MDACH starting mixture includes both trans and cis isomers. Trans-enriched MDACH includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, where the proportion of trans isomers in the mixture is higher than the proportion of trans isomers in the MDACH starting mixture.

制备富含反式异构体MDACH的方法，包括：在辅助剂的存在下蒸馏MDACH起始混合物，所述辅助剂是一种有着62至500克/摩尔的摩尔质量、沸点至少比顺式、顺式-2,6-二氨基-1-甲基环己烷的沸点高出至少5摄氏度，并且具有2至4个官能团，每个官能团独立地是醇基团或一级、二级或三级氨基团的有机化合物。MDACH起始混合物包括以MDACH起始混合物中MDACH总量为基础的0至100%重量的2,4-MDACH和0至100%重量的2,6-MDACH。MDACH起始混合物包括反式和顺式异构体。富含反式异构体的MDACH包括以2,4-MDACH和2,6-MDACH的0至100%重量为基础，其中混合物中反式异构体的比例高于MDACH起始混合物中反式异构体的比例。
METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE

申请人：Warsaw Orthopedic, Inc.

公开号：US20150197488A1

公开（公告）日：2015-07-16

A method of making an amino acid triisocyanate is provided, the method comprising reacting an amino acid trihydrochloride with phosgene to form the amino acid triisocyanate. In some embodiments, the amino acid trihydrochloride comprises lysine ester trihydrochloride salt and the amino acid triisocyanate comprises lysine ester triisocyanate. In some embodiments, there is a lysine ester triisocyanate having a purity of at least about 98%, the lysine ester triisocyanate having a structure resulting from reacting lysine ester trihydrochloride salt with phosgene to form the lysine ester triisocyanate. These lysine ester triisocyanates can be used to make biodegradable polyurethanes.

提供了一种制备氨基酸三异氰酸酯的方法，该方法包括将氨基酸三氢氯酸盐与光气反应以形成氨基酸三异氰酸酯。在一些实施例中，氨基酸三氢氯酸盐包括赖氨酸酯三氢氯酸盐，而氨基酸三异氰酸酯包括赖氨酸酯三异氰酸酯。在一些实施例中，存在一种纯度至少约为98%的赖氨酸酯三异氰酸酯，该赖氨酸酯三异氰酸酯具有由赖氨酸酯三氢氯酸盐与光气反应形成赖氨酸酯三异氰酸酯的结构。这些赖氨酸酯三异氰酸酯可用于制造生物降解聚氨酯。
DERMATOLOGICAL COMPOSITIONS AND METHODS

申请人：——

公开号：US20020141952A1

公开（公告）日：2002-10-03

Disclosed are methods and compositions for regulating the melanin content of mammalian melanocytes; regulating pigmentation in mammalian skin, hair, wool or fur; treating or preventing various skin and proliferative disorders; by administration of various compounds, including alcohols, diols and/or triols and their analogues.

公开了用于调节哺乳动物黑素细胞的黑色素含量的方法及组合物；通过施用包括醇、二醇和/或三醇及其类似物在内的各种化合物，来调节哺乳动物皮肤、毛发、羊毛或毛皮的色素沉着；以及治疗或预防各种皮肤和增殖性障碍。
METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIHYDROCHLORIDE

申请人：Warsaw Orthopedic, Inc.

公开号：US20150197483A1

公开（公告）日：2015-07-16

In some embodiments, a method of making an amino acid trihydrochloride is provided, the method comprising reacting an amino acid monohydrochloride with an alkanolamine to form the amino acid trihydrochloride. In some embodiments, the amino acid monohydrochloride comprises lysine hydrochloride, which is mixed with ethanolamine to form lysine ester trihydrochloride. In some embodiments, there is a lysine ester trihydrochloride salt having a purity of at least about 98%, the lysine ester trihydrochloride salt having a structure resulting from reacting lysine hydrochloride and ethanolamine to form the lysine ester trihydrochloride salt. The lysine ester trihydrochloride can be made in one reaction vessel.

在某些实施例中，提供了一种制备氨基酸三氢氯化物的方法，该方法包括将氨基酸单氢氯化物与烷醇胺反应以形成氨基酸三氢氯化物。在某些实施例中，氨基酸单氢氯化物包括赖氨酸盐酸盐，其与乙醇胺混合以形成赖氨酸酯三氢氯化物。在某些实施例中，存在一种纯度至少约98%的赖氨酸酯三氢氯化物盐，该赖氨酸酯三氢氯化物盐具有由赖氨酸盐酸盐和乙醇胺反应形成赖氨酸酯三氢氯化物盐的结构。赖氨酸酯三氢氯化物可以在一个反应容器中制造。
[EN] A METHOD FOR SYNTHESIZING AN ALKENOIC ACID<br/>[FR] PROCÉDÉ DE SYNTHÈSE D'UN ACIDE ALCÉNOÏQUE

申请人：AGENCY SCIENCE TECH & RES

公开号：WO2016167726A1

公开（公告）日：2016-10-20

There is provided a method for synthesizing an alkenoic acid, in particular acrylic acid comprising the step of oxidizing an alkenyl alcohol in the presence of a metal oxide catalyst to form the alkenoic acid. The invention further provides a step of deoxydehydrating a polyol, including glycerol to obtain said alkenyl alcohol including an allyl alcohol.

提供了一种合成烯酸的方法，特别是丙烯酸，包括在金属氧化物催化剂存在下氧化烯基醇以形成烯酸的步骤。该发明进一步提供了一步脱氧脱水多元醇，包括甘油，以获得所述烯基醇，包括烯丙醇。

1,2,3-己三醇 | 90325-47-6

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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