庚氧基乙醇 | 7409-44-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 庚氧基乙醇
• 英文名称: ethylene glycol monoheptyl ether
• 英文别名: 2-(1-heptyloxy)-1-ethanol；2-heptoxyethanol；Ethanol, 2-(heptyloxy)-
• CAS: 7409-44-1
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: QJTOHHRPYAVWOO-UHFFFAOYSA-N

物化性质

• 沸点：
  221.18°C (rough estimate)
• 密度：
  0.8721 (estimate)
• 保留指数：
  1189.1

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。

SDS

Name:	Heptyloxyethanol Material Safety Data Sheet
Synonym:	Ethyleneglycol monoheptylether
CAS:	7409-44-1

Section 1 - Chemical Product MSDS Name:Heptyloxyethanol Material Safety Data Sheet
Synonym:Ethyleneglycol monoheptylether

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7409-44-1	Ethanol, 2-(heptyloxy)-	90	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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 water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 7409-44-1: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: slightly yellow
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C9H20O2
Molecular Weight: 160.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7409-44-1: KL2100000 LD50/LC50:
CAS# 7409-44-1: Draize test, rabbit, eye: 100 mg Severe; Draize test, rabbit, skin: 500 mg Moderate; Oral, rat: LD50 = 2280 mg/kg.
Carcinogenicity:
Ethanol, 2-(heptyloxy)- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 7409-44-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7409-44-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7409-44-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  庚氧基乙醇 在 吡啶 、 三氟化硼乙醚 作用下， 生成 2-heptoxyethyl 3,4,6-tri-O-acetyl-2-acetamido-2-deoxy-alpha-D-glucopyranoside
  参考文献：
  名称：

  烷氧基乙基2-乙酰氨基-2-脱氧-α - D-吡喃葡萄糖苷的合成及性能

  摘要：

  通过在传统的烷基糖苷结构中引入氧化乙烯片段（-OCH 2 CH 2-），构造了一类新型的基于糖的表面活性剂，称为2-乙酰氨基-2-脱氧-α - D-吡喃葡萄糖苷。合成了具有不同烷基链长度的这种烷氧基乙基2-乙酰氨基-2-脱氧-α - D-吡喃葡萄糖苷，并且通过1 H NMR和HRMS分析证实它们的单一构型为α-端基异构体。研究了它们的水溶性，表面张力，乳化性，起泡性和热稳定性，并比较了烷基链长对其表面性质的影响。烷氧基乙基2-乙酰氨基-2-脱氧-的水溶性α - D-吡喃葡萄糖苷明显优于没有氧乙烯片段的烷基2-乙酰氨基-2-脱氧-α - D-吡喃葡萄糖苷。它们的溶解过程是吸热过程，并且也受熵增加的驱动。公开了烷氧基乙基2-乙酰氨基-2-脱氧-α - D-吡喃葡萄糖苷可显着降低水的表面张力。对于这两种CMC和γ CMC，有一个与烷基链长的增加减少的趋势。作为烷基链长的增加，最大表面吸附（Γ最大

  DOI：

  10.1016/j.molliq.2017.08.003
• 作为产物：
  描述：

  1-chloromethoxy-heptane 在 盐酸 、 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 庚氧基乙醇
  参考文献：
  名称：

  Dupont et al., Bulletin de la Societe Chimique de France, 1955, p. 638,641

  摘要：

  DOI：
• 作为试剂：
  描述：

  胡椒基氯 、 alkaline earth salt of/the/ methylsulfuric acid 在 庚氧基乙醇 作用下， 生成 5-(2-heptyloxy-ethoxymethyl)-benzo[1,3]dioxole
  参考文献：
  名称：

  除虫菊酯的杀虫协同作用：3:4-亚甲基二氧苯基化合物化学结构与协同活性关系的研究

  摘要：

  已经合成了一系列具有分级复杂性的 3:4-亚甲二氧苯基化合物，并测试了与除虫菊酯对成年黑木耳甲虫 Alphitobius laevigatus 的协同作用。结果确定了这种协同作用的最低分子要求，并指出亚甲基是活性的基础。根据作用模式的当前理论考虑逐步修饰最小增效剂分子的效果。

  DOI：

  10.1002/jsfa.2740091007

文献信息

• Catalyst composition for hydrogenation and method for hydrogenation using the same
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10016749B2

  公开（公告）日：2018-07-10

  A catalyst composition for hydrogenation including (A) to (D), in which a mass ratio ((C)/(A)) is 0.1 to 4.0 and a mass ratio ((D)/(A)) is 0.01 to 1.00, (A): a titanocene compound represented by formula (1), (wherein R5 and R6 are any group selected from hydrogen, a hydrocarbon group having 1 to 12 carbon atoms, an aryloxy group, an alkoxy group, a halogen group, and a carbonyl group. R1 and R2 are any group selected from the group consisting of hydrogen and a hydrocarbon group having 1 to 12 carbon atoms, and R1 and R2 are not all hydrogen atoms or all a hydrocarbon group having 1 to 12 carbon atoms), (B): a reductant formed from a compound containing an element selected from the elements Li, Na, K, Mg, Zn, Al, and Ca, (C): an unsaturated compound having a molecular weight of 400 or less, and (D): a polar compound.

  一种用于加氢的催化剂组合物，包括(A)至(D)，其中质量比((C)/(A))为0.1至4.0，质量比((D)/(A))为0.01至1.00， (A)：由公式(1)表示的钛环戊二烯基化合物， （其中R5和R6是从氢、具有1至12个碳原子的烃基、芳氧基、烷氧基、卤素基和羰基中选择的任何基团。R1和R2是从氢和具有1至12个碳原子的烃基组成的组中选择的任何基团，且R1和R2不全是氢原子或全部为具有1至12个碳原子的烃基）， (B)：由含有选自Li、Na、K、Mg、Zn、Al和Ca元素的化合物的还原剂形成， (C)：分子量400或以下的非饱和化合物，以及 (D)：极性化合物。
• 新的1,2-顺式木糖苷表面活性剂
  申请人：湘潭大学

  公开号：CN106883276A

  公开（公告）日：2017-06-23

  本发明公开了一种木糖衍生的1,2‑顺式的新型糖苷表面活性剂及其应用。采用D‑木糖为原料，通过酰化、偶联及脱保护三步反应，得到1,2‑顺式的烷氧基乙基‑ɑ‑D‑吡喃木糖苷。该类表面活性剂能充分转化农作物下脚料所获取的D‑木糖，生产成本低廉，制备方法简单，产物环境友好。该糖苷水溶性改善，表面活性较强，发泡性和乳化性能可选可控，作为表面活性剂具有良好的市场前景和经济价值。
• 1,2-顺式葡萄糖苷表面活性剂及制备方法
  申请人：湘潭大学

  公开号：CN108409811A

  公开（公告）日：2018-08-17

  本发明属于化学技术领域，具体公开了一类糖基非离子表面活性剂1,2‑顺式的烃氧乙基葡萄糖苷及制备方法。该类糖苷化合物的结构如式(Ⅰ)所示，且相应的制备方法包括葡萄糖转化成五乙酰葡萄糖，后者与乙二醇单烃基醚在路易斯酸(BF3·Et2O)催化下得到相应的1,2‑顺式的酰基保护的糖苷，通过脱保护获得相应的1,2‑顺式的烃氧乙基葡萄糖苷。本发明烃氧基乙基葡萄糖苷呈现系列化，且制备方法简单易行，条件温和可控。由于该结构引入了具有亲水性的氧乙基片段(‑OCH2CH2‑)，HLB值变大，亲水性增强，水溶性改善。
• 一类N-乙酰氨基葡萄糖苷类化合物
  申请人：湘潭大学

  公开号：CN107011395B

  公开（公告）日：2020-01-03

  本发明公开了一类N‑乙酰氨基葡萄糖苷类化合物，该糖苷类化合物具有式(Ⅰ)所示的结构。该糖苷类化合物以N‑乙酰‑D‑氨基葡萄糖和烷氧基乙醇为原料，通过三步反应获得。本发明所提供式(Ⅰ)所示结构的糖苷类化合物改善了烷基‑N‑乙酰氨基葡萄糖苷的水溶性，并且能显著降低溶液的表面张力、具有良好的起泡能力、泡沫稳定性和乳化能力，是一种充分利用廉价易得的N‑乙酰‑D‑氨基葡萄糖为合成原料通过化学方法获得的具有新型结构和应用价值的亲水型表面活性剂。该糖苷还有望在促进透明质酸的产生、双歧杆菌的生长、抑制胃肠道有害菌幽门螺杆菌的繁殖等方面发挥作用。此外，鉴于其新颖的结构，可应用于后续相关产品的研发与生产。
• Thermotropic phase behavior and surface-active properties of alkoxyethyl α- -glucopyranoside
  作者：Yanhua Zhang、Langqiu Chen、Xiubing Wu、Fang Fu、Yulin Fan

  DOI：10.1016/j.molliq.2018.06.054

  日期：2018.9

  to decrease with increasing the alkyl chain length, whereas the logP value, πCMC value, Αmin value and pC20 value showed the opposite trend with increasing the alkyl chain length. In addition, decyloxyethyl α-d-glucopyranoside showed the strongest emulsifying activity in n-octane/water system and rapeseed oil/water system, and it also had the best foaming properties. Therefore, an effective introduction

  为了克服传统的烷基的固有弱点α - d在水中的溶解度和表面活性，一系列吡喃葡萄糖苷糖基表面活性剂烷氧基乙基α - d -glucopyranosides通过引入一个oxyethene间隔成功地合成（OCH 2 CH 2）。在此，使用DSC，POM和其他方法研究了它们的热致液晶和表面活性性质。相变温度随着烷基链长度的增加而增加，同时发现所有糖苷均形成近晶相，因为在冷却过程中存在典型的局灶性扇形结构。此外，烷氧基乙基α - d与没有氧化乙烯片段的传统烷基α - d-吡喃葡萄糖苷相比，-吡喃葡萄糖苷具有更好的水溶性和更好的表面活性。此外，HLB值，溶解性，Ç CMC值，γ CMC值和Γ最大烷氧基的值α - d吡喃葡萄糖苷具有随着烷基链长度降低的倾向，而日志P值，π CMC值，Α分钟值和p C 20值随烷基链长度的增加显示出相反的趋势。另外，癸氧基乙基α - d-吡喃葡萄糖苷在正辛烷/水系统和菜籽