9-辛基-9-十七烷醇 - CAS号 17687-72-8

物化性质

沸点：

411.0±13.0 °C(Predicted)
密度：

0.840±0.06 g/cm3(Predicted)
稳定性/保质期：

遵照规定使用和储存，则不会分解。

计算性质

辛醇/水分配系数(LogP)：

11.3
重原子数：

26
可旋转键数：

21
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

20.2
氢给体数：

1
氢受体数：

1

安全信息

安全说明：

S24/25
海关编码：

2905199090
储存条件：

存放于阴凉干燥处。

SDS

SDS：bcbf732229d08045ce548f3ca977ad88

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Name:	9-Octyl-9-heptadecanol tech. Material Safety Data Sheet
Synonym:	Tri-n-octylmethano
CAS:	17687-72-8

Section 1 - Chemical Product MSDS Name:9-Octyl-9-heptadecanol tech. Material Safety Data Sheet
Synonym:Tri-n-octylmethano

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17687-72-8	9-Octyl-9-heptadecanol, tech.	ca. 100	241-673-2

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:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. 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 if cough or other symptoms appear.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Use with adequate ventilation.
Storage:
Store in a cool, dry place. 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# 17687-72-8: 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: Solid
Color: Not available.
Odor: Not available.
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: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C25H52O
Molecular Weight: 368.67

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17687-72-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9-Octyl-9-heptadecanol, tech. - 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# 17687-72-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17687-72-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17687-72-8 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：

9-辛基-9-十七烷醇在 palladium on activated charcoal 氢气、碘、溶剂黄146 作用下，以环己烷为溶剂， 80.0 ℃ 、1.38 MPa 条件下，反应 24.0h，生成 9-辛基-十七烷

参考文献：

名称：

Synthesis of deuterium-labelled polyoctylalkanes

摘要：

使用选择性和特定氘标记方法，成功合成了特定标记的9-d-9-辛基十七烷（1）和9-d-9，10-二辛基十八烷（2）。后者的前体四辛基乙烯是通过改进近期发表方法的麦柯里反应变体合成的。

DOI：

10.1002/jlcr.2580361211
作为产物：

描述：

cyano-trioctyl-borate(1-); potassium salt 生成 9-辛基-9-十七烷醇

参考文献：

名称：

Pelter,A. et al., Journal of the Chemical Society. Perkin transactions I, 1975, p. 138 - 142

摘要：

DOI：

点击查看最新优质反应信息

文献信息

Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound

申请人：Shinohata Masaaki

公开号：US20100292496A1

公开（公告）日：2010-11-18

The present invention provides a process for producing: a compound represented by XOR 2 ; a dialkyl tin dialkoxide compound having one tin atom, two Sn—R 1 bonds and two Sn—OR 2 bonds; and/or a tetraalkyl dialkoxy distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl dialkoxy distannoxane compound has two Sn—R 1 bonds and one Sn—OR 2 bond, the process comprising reacting in the absence of a catalyst at least one alkyl tin compound selected from the group consisting of i) and ii) below: i) a dialkyl tin compound having one tin atom, two Sn—R 1 (wherein R 1 represents an alkyl group) bonds, and two Sn—OX bonds (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and ii) a tetraalkyl distannoxane compound having one Sn—O—Sn bond, in which each tin atom of the tetraalkyl distannoxane compound has two Sn—R 1 bonds and one Sn—OX bond (wherein OX is a group in which HOX that is a conjugate acid of OX is a Bronsted acid having a pKa of from 0 to 6.8); and a carbonic acid ester represented by R 2 OCOOR 2 (wherein R 2 represents a linear or branched, saturated or unsaturated hydrocarbon group, a hydrocarbon group having a saturated or unsaturated cyclic hydrocarbon substituent, or a Y—CH 2 — group (wherein Y represents an alkyl polyalkylene group, an aromatic group or a cyclic saturated or unsaturated alkylene ether group)), and/or an alcohol represented by R 2 OH (wherein R 2 is the same as defined above).

本发明提供了一种生产过程：产生一个由XOR表示的化合物；具有一个锡原子、两个Sn—R1键和两个Sn—OR2键的二烷基锡二烷氧化合物；和/或具有一个Sn—O—Sn键的四烷基二烷氧基二锡烷氧化合物，其中四烷基二烷氧基二锡烷氧化合物的每个锡原子具有两个Sn—R1键和一个Sn—OR2键，所述过程包括在缺乏催化剂的情况下反应以下所述组中选择的至少一种烷基锡化合物： i) 具有一个锡原子、两个Sn—R1（其中R1代表烷基基团）键和两个Sn—OX键（其中OX是HOX的共轭酸，HOX是具有从0到6.8的pKa的Bronsted酸的群）的二烷基锡化合物；和 ii) 具有一个Sn—O—Sn键的四烷基二锡烷氧化合物，其中四烷基二锡烷氧化合物的每个锡原子具有两个Sn—R1键和一个Sn—OX键（其中OX是HOX的共轭酸，HOX是具有从0到6.8的pKa的Bronsted酸的群）；和由R2OCOOR2（其中R2代表线性或支链、饱和或不饱和碳氢基团、具有饱和或不饱和环烃取代基的碳氢基团，或Y—CH2—基团（其中Y代表烷基多聚烯基基团、芳香基团或环状饱和或不饱和烷基醚基团））表示的碳酸酯；和/或由R2OH（其中R2与上述定义相同）表示的醇。
Reactions between lithiated 1,3-dithiane oxides and trialkylboranes

作者：Basil A. Saleh、Keith Smith、Mark C. Elliott、Gamal A. El-Hiti

DOI：10.1080/17415993.2021.1971670

日期：2021.11.2

both the methoxy group and the thiolate unit of the dithiane ring, giving dioctyl ketone after oxidation, but the yield is low, primarily because thiophilic addition of the lithiating agent predominates over lithiation. Again, there is no evidence for the displacement of the sulfenate unit. However, the intermediate prior to oxidation can be treated with trifluoroacetic anhydride to induce a Pummerer

各种 2-取代的 1,3-二噻烷氧化物（1-氧化物和 1,3-二氧化物）已被金属化并首次与三烷基硼烷（三辛基硼烷）反应。2-氯-1,3-二氧化物导致辛基从硼迁移到碳，同时取代氯并在氧化后生成壬酸，但没有证据表明第二次迁移涉及次磺酸盐基团的置换。2-甲氧基-1-氧化物锂化反应导致两次迁移，甲氧基和二噻烷环的硫醇盐单元均被置换，氧化后得到二辛基酮，但产率低，主要是因为亲硫性锂化剂的添加优于锂化。同样，没有证据表明次磺酸盐单元发生了位移。然而，
Synthesis of Symmetrical Ketones from Grignard Reagents and 1,1′-Carbonyldiimidazole

作者：Giuseppe Marchese、Daniela Bottalico、Vito Fiandanese、Angela Punzi

DOI：10.1055/s-0029-1216815

日期：2009.7

Coupling reactions of 1,1′-carbonyldiimidazole with Grignard reagents provide a rapid and straightforward method for the synthesis of symmetrical ketones. Grignard reactions - coupling - acylations - 1,1′-carbonyldiimidazole - ketones

1,1'-羰基二咪唑与格氏试剂的偶联反应为合成对称酮提供了一种快速而直接的方法。格氏反应-偶联-酰化-1,1'-羰基二咪唑-酮
Reactions of organoboranes with carbanions bearing three potential leaving groups: unusual processes, products and mechanisms

作者：Basil A. Saleh、Keith Smith、Mark C. Elliott、D. Heulyn Jones、Benson M. Kariuki、Gamal A. El Hiti

DOI：10.1016/j.tet.2016.09.005

日期：2016.11

α-chloroalkyl phenyl sulfoxides or reacted with aldehydes to aldol-like products. With X=SO2Ph, the major product was the corresponding α,α-dichloroalkyl phenyl sulfone, apparently formed through a redox reaction. With X=S(O)(NMe)Ph, products of three intramolecular alkyl migrations were obtained with unhindered trialkylboranes. Attempts have been made to gain understanding of the sulfoxide process by investigating

将三烷基硼烷的三个烷基分子内转移至单个碳原子的已知试剂缺乏影响立体化学的特征。我们研究了四种LiCCl 2 X试剂，其中X可能会发生变化。所有人的行为都不同。在X ＝ OR（R ＝环己基，薄荷基）的情况下，试剂分解，导致三重迁移产物的收率低。当X = S（O）Ph时，发生一次迁移，然后异构化为烯醇硼化物样物质，该物质水解为α-氯烷基苯基亚砜或与醛反应生成醇醛样产物。X = SO 2时Ph，主要产物是相应的α，α-二氯烷基苯基砜，显然是通过氧化还原反应形成的。在X = S（O）（NMe）Ph的情况下，使用不受阻碍的三烷基硼烷获得了三个分子内烷基迁移的产物。已经尝试通过使用X射线晶体学和从头算来研究类似醛醇的产物的比例来获得对亚砜过程的理解。
Factors affecting reactions of trialkylcyanoborates with imidoyl chlorides/trifluoroacetic anhydride

作者：Dyfyr Heulyn Jones、Keith Smith、Mark C. Elliott、Gamal A. El-Hiti

DOI：10.1016/j.tet.2015.06.038

日期：2015.9

for the synthesis of quaternary carbon centres. Herein we report investigations into generation of tert-alkyl organoboron species using imidoyl chlorides as reagents in the organoboron cyanidation reaction. Although alkenyl side-products predominate in particularly hindered cases, tert-alkyl organoboron species can be successfully generated for less hindered examples.

产生叔烷基有机硼物质的方法有很高的要求，因为它们是合成季碳中心的宝贵中间体。在此，我们报道了在有机硼氰化反应中使用亚氨酰氯作为试剂对生成叔烷基有机硼物质的研究。尽管在特别受阻碍的情况下，烯基副产物占主导，但是对于受较少阻碍的例子，可以成功地产生叔烷基有机硼物质。

9-辛基-9-十七烷醇 | 17687-72-8

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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