3-(辛基氧基)丙腈 | 16728-49-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(辛基氧基)丙腈
• 英文名称: 3-octyloxy-propionitrile
• 英文别名: 3-(octyloxy)propiononitrile；3-Octoxypropanenitrile
• CAS: 16728-49-7
• 化学式: C₁₁H₂₁NO
• 分子量: 183.294
• InChiKey: JUBCYGQFVNMTIM-UHFFFAOYSA-N

物化性质

• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-OCTYLOXYPROPIONITRILE
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 16728-49-7

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C11H21NO
Molecular Weight : 183,3 g/mol
CAS-No. : 16728-49-7
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Avoid
breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 3,292
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-(辛基氧基)丙腈 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 Bis-(3-octyloxy-propyl)-amin
  参考文献：
  名称：

  Gaiffe,A.; Launay,C., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1968, vol. 266, p. 471 - 472

  摘要：

  DOI：
• 作为产物：
  描述：

  辛醇 以90%的产率得到
  参考文献：
  名称：

  SUN, XIAOYUN;PENG, GUICHUN, XUASYUEH TUNBAO,(1990) N, S. 48-49

  摘要：

  DOI：

文献信息

• Omega-hydrofluoroalkyl ethers, precursor carboxylic acids and derivatives thereof, and their preparation and application
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP1170275A3

  公开（公告）日：2004-04-14

  Normally liquid, omega-hydrofluoroalkyl ether compounds (and selected mixtures thereof) have a saturated perfluoroaliphatic chain of carbon atoms interrupted by one or more ether oxygen atoms. The compounds can be prepare, e.g. by decarboxylation of the corresponding fluoroalkyl ether carboxylic acids and are useful, e.g., in cleaning and drying applications.

  通常是液体的ω-氢氟烷基醚化合物（及其选定的混合物）具有由一个或多个醚氧原子中断的饱和全氟脂肪链的碳原子。这些化合物可以通过相应的氟烷基醚羧酸的脱羧反应制备，例如在清洁和干燥应用中很有用。
• Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification
  作者：Masazumi Tamura、Ryota Kishi、Akira Nakayama、Yoshinao Nakagawa、Jun-ya Hasegawa、Keiichi Tomishige

  DOI：10.1021/jacs.7b05227

  日期：2017.8.30

  viewpoints. Here, a principle for creating a new strong base by hybridization of homogeneous and heterogeneous components is presented. It is based on the modification of organic compounds with metal oxides by using the acid-base property of metal oxides. Based on kinetic and DFT studies, combination of CeO2 and 2-cyanopyridine drastically enhanced the basicity of 2-cyanopyridine by a factor of about 109

  开发具有独特且前所未有的催化性能的新型杂化材料对化学家来说是一个挑战，而多相-均相杂化催化剂由于期望由组分组合产生的优选和特殊性能而备受关注。碱催化剂作为关键材料广泛应用于有机合成中，一类新的碱催化剂在学术和工业上都产生了很大的影响。在这里，提出了通过同质和异质成分的杂交来创建新的强碱的原理。它是利用金属氧化物的酸碱性质，用金属氧化物对有机化合物进行改性。基于动力学和 DFT 研究，CeO2 和 2-氰基吡啶的组合使 2-氰基吡啶的碱性显着提高了约 109 倍（pKa（在 CH3CN 中）约为 9），估计 pKa 为 21，这将其置于超强碱类别中。2-氰基吡啶和CeO2通过两种相互作用模式形成独特的吸附复合物：（i）CeO2的Ce原子与2-氰基吡啶中吡啶环的N原子之间的配位相互作用，以及（ii）表面O原子之间的共价相互作用通过将 CeO2 的晶格氧加成到 2-氰基吡啶的 CN 基团上，CeO2
• Ether amine compounds and use thereof as flotation collector
  申请人：ARKEMA FRANCE

  公开号：US10815337B2

  公开（公告）日：2020-10-27

  The present invention relates to a compound of formula (I): in which: the R1 and R2 groups, which may be identical or different, are, independently of one another, a saturated or unsaturated, linear, branched or cyclic hydrocarbon group having from 1 to 15 carbon atoms, preferably from 1 to 10 carbon atoms; the R3 and R4 groups, which may be identical or different, are selected, independently of one another, from a hydrogen atom, a methyl group or an ethyl group; the R, R6 and R7 groups, which may be identical or different, are selected, independently of one another, from a hydrogen atom or an alkyl group comprising from 1 to 6 carbon atoms; n is an integer of 0 to 20; and m is an integer of 1 to 6.

  本发明涉及一种式（I）的化合物：其中：R1和R2基团可以相同或不同，分别是饱和或不饱和的线性、支链或环烃基团，具有1至15个碳原子，优选1至10个碳原子；R3和R4基团可以相同或不同，分别选自氢原子、甲基基团或乙基基团；R、R6和R7基团可以相同或不同，分别选自氢原子或包含1至6个碳原子的烷基基团；n为0至20的整数；m为1至6的整数。
• Bisphenolesterderivate
  申请人：CIBA-GEIGY AG

  公开号：EP0716076A2

  公开（公告）日：1996-06-12

  Stabilisatoren der Formel I, worin R1 und R2 z.B. C1-C5-Alkyl sind, die Reste R3 bis R8 z.B. Wasserstoff bedeuten, die Variable n z.B. 1 oder 2 ist und, wenn n 1 ist, A z.B. einen Alkoxyrest darstellt, und wenn n 2 ist, A z.B. ein Diaminrest bedeutet.

  式 I 的稳定剂、 其中，R1 和 R2 例如为 C1-C5 烷基，R3 至 R8 例如为氢，变量 n 例如为 1 或 2，当 n 为 1 时，A 例如为烷氧基，当 n 为 2 时，A 例如为二胺基。
• The free-radical reaction of the methyl ester and nitrile of 3-methoxypropionic acid with alk-1-enes
  作者：Yu. N. Ogibin、L. M. Il'ina、G. I. Nikishin

  DOI：10.1007/bf00908501

  日期：1967.12