2-异丙烯基-2-氧唑啉 | 10471-78-0

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 2-异丙烯基-2-氧唑啉
• 中文别名: 2-异丙烯基噁唑啉
• 英文名称: 2-(Propen-2-yl)-4,5-dihydro-1,3-oxazole
• 英文别名: 2-isopropenyl-2-oxazoline；2-isopropenyl-4,5-dihydro-oxazole；2-iso-propenyl-2-oxazoline；2-isopropenyl oxazoline；2-isopropenyloxazoline；isopropenyl oxazoline；2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
• CAS: 10471-78-0
• 化学式: C₆H₉NO
• mdl: MFCD03427229
• 分子量: 111.144
• InChiKey: LPIQIQPLUVLISR-UHFFFAOYSA-N

物化性质

• 熔点：
  −47 °C(lit.)
• 沸点：
  147 °C(lit.)
• 密度：
  1.06 g/mL at 25 °C(lit.)
• 闪点：
  119 °F

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  T
• 危险类别码：
  R10,R36/37/38,R23
• 危险品运输编号：
  UN 3384 6.1/PG 1
• WGK Germany：
  3
• 海关编码：
  2934999090
• 安全说明：
  S26,S36,S45
• 危险标志：
  GHS02,GHS06
• 危险性描述：
  H226,H315,H319,H331,H335
• 危险性防范说明：
  P261,P305 + P351 + P338,P311

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Isopropenyl-2-oxazoline
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. : 10471-78-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 3), H226
Acute toxicity, Inhalation (Category 3), H331
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
R10
T Toxic R23
Xi Irritant R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H226 Flammable liquid and vapour.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H331 Toxic if inhaled.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing vapours.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P311 Call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
Contains: Phenothiazine. May produce an allergic reaction.
Sensitising components:
Phenothiazine
May produce an allergic reaction.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C6H9NO
Molecular Weight : 111,14 g/mol
CAS-No. : 10471-78-0
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Isopropenyl-2-oxazoline
CAS-No. 10471-78-0 Flam. Liq. 3; Acute Tox. 3; 50 - 100 %
Skin Irrit. 2; Eye Irrit. 2; STOT
SE 3; H226, H315, H319,
H331, H335
Phenothiazine
CAS-No. 92-84-2 Acute Tox. 4; Skin Sens. 1; 0,1 - 1 %
EC-No. 202-196-5 STOT RE 2; Aquatic Chronic
3; H302, H317, H373, H412
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Isopropenyl-2-oxazoline
CAS-No. 10471-78-0 T, R23 - R10 - R36/37/38 50 - 100 %
Phenothiazine
CAS-No. 92-84-2 Xn, R22 - R43 - R48/22 - 0,1 - 1 %
EC-No. 202-196-5 R52/53
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. 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
Use water spray to cool unopened containers.

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove
all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form
explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: 2 - 8 °C
Specific end use(s)
Apart 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
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
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.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. 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: liquid
Colour: yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: -47 °C - lit.
point
f) Initial boiling point and 147 °C - lit.
boiling range
g) Flash point 48 °C - closed cup
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 1,06 g/cm3 at 25 °C
n) Water solubility soluble
o) Partition coefficient: n- log Pow: 0,769 at 25 °C
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
Bulk density 1.470 kg/m3

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Contains the following stabiliser(s):
Phenothiazine (0,1 %)
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
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

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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
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 3384 IMDG: 3384 IATA: 3384
UN proper shipping name
ADR/RID: TOXIC BY INHALATION LIQUID, FLAMMABLE, N.O.S. (2-Isopropenyl-2-oxazoline)
IMDG: TOXIC BY INHALATION LIQUID, FLAMMABLE, N.O.S. (2-Isopropenyl-2-oxazoline)
IATA: Toxic by inhalation liquid, flammable, n.o.s. (2-Isopropenyl-2-oxazoline)
Passenger Aircraft: Not permitted for transport
Cargo Aircraft: Not permitted for transport
Transport hazard class(es)
ADR/RID: 6.1 (3) IMDG: 6.1 (3) IATA: 6.1 (3)
Packaging group
ADR/RID: I IMDG: I 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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-异丙烯基-2-氧唑啉 、 N-[(tert-butoxy)carbonyl]-L-cysteine methyl ester 在 butylamine resin 作用下， 以 四氢呋喃 为溶剂， 生成 methyl N-(tert-butoxycarbonyl)-S-(2-(4,5-dihydrooxazol-2-yl)propyl)-L-cysteinate
  参考文献：
  名称：

  Thiol-Ene点击功能化和2-恶唑啉单体的后续聚合

  摘要：

  2-恶唑啉的聚合物是一类聚合物，根据N的不同，它们会表现出水溶性和生物相容性-酰基侧链官能团，可以在端基和主链上轻松修饰，使其成为聚乙二醇（PEG）的有吸引力的替代品。由于官能化的恶唑啉单体的可获得性有限，因此将多种官能度引入恶唑啉单体的方法是令人感兴趣的。侧链硫醇和2-异丙烯基-2-恶唑啉之间的预聚合硫醇-烯偶联用于合成三种不同的单体，然后进行聚合，以生成具有芳基，酯，受保护的胺和受保护的羧酸侧链的2-取代的恶唑啉聚合物。所得的聚合物表现出分子量范围为3000至8000，并且多分散性通常低于1.3。还实现了这些聚合物的脱保护作用，以产生具有反应性官能团的聚合物，

  DOI：

  10.1021/ma9028294
• 作为产物：
  描述：

  2-乙基-2-唑啉 在 三乙胺 作用下， 生成 2-异丙烯基-2-氧唑啉
  参考文献：
  名称：

  Seeliger,W. et al., Angewandte Chemie, 1966, vol. 78, # 20, p. 913 - 927

  摘要：

  DOI：

文献信息

• COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND
  申请人：SHOWA DENKO K.K.

  公开号：US20210198184A1

  公开（公告）日：2021-07-01

  The invention relates to a composition excellent in stability during storage and stability during utilization, and relates to a method of producing the composition. The composition includes a compound (A) represented by general formula (1) and a compound (B) represented by general formula (2), and includes 0.00002 to 0.2 parts by mass of the compound (B) with respect to 100 parts by mass of the compound (A), (R 1 —COO) n —R 2 —(NCO) m (1) (R 1 —COO) n —R 2 —(R 3 —R 1 ) m (2) wherein in general formulae (1) and (2), R 1 is an ethylenically unsaturated group having 2 to 7 carbon atoms; R 2 is a (m+n)-valent hydrocarbon group having 1 to 7 carbon atoms and optionally contains an ether group; R 1 and R 2 in the general formula (1) are the same as R 1 and R 2 in the general formula (2); in general formula (2), R 3 is —NHC(═O)—; and n and m each represent an integer of one or two.

  本发明涉及一种在储存期间和使用期间稳定性优异的组成物，以及该组成物的生产方法。所述组成物包括由通用公式（1）表示的化合物（A）和由通用公式（2）表示的化合物（B），并且包括相对于100部分质量的化合物（A）的0.00002至0.2部分质量的化合物（B），(R1—COO)n—R2—(NCO)m(1)(R1—COO)n—R2—(R3—R1)m(2)其中在通用公式（1）和（2）中，R1是具有2至7个碳原子的乙烯基不饱和基团；R2是具有1至7个碳原子的（m+n）价烃基团，并且可选地含有醚基；通用公式（1）中的R1和R2与通用公式（2）中的R1和R2相同；在通用公式（2）中，R3是—NHC(═O)—；n和m各自代表一个或两个整数。
• [EN] REACTIVE FILLER FOR DENTAL CEMENTS<br/>[FR] MATIÈRE DE REMPLISSAGE RÉACTIVE POUR CIMENTS DENTAIRES
  申请人：DENTSPLY DETREY GMBH

  公开号：WO2006013111A1

  公开（公告）日：2006-02-09

  A process for the modification of a particulate reactive filler for a dental ionomer cement, comprising (a) providing a particulate reactive filler; and, (b1) treating the surface of the particulate reactive filler with a surface modifying agent for obtaining a surface modified particulate reactive filler displaying ligand groups for a transition metal; and (b2) treating the surface modified particulate reactive filler with an agent containing the transition metal for complexing the transition metal with the ligand groups displayed on the surface of the surface modified particulate reactive filler; and/or (c) treating the surface of the particulate reactive filler with a surface modifying transition metal complex which is a reaction product of a surface modifying agent and a transition metal precursor compound, for obtaining a transition metal complex surface modified particulate reactive filler for a dental ionomer cement.

  一种用于改性牙科离子聚合物水泥用颗粒反应性填料的方法，包括(a)提供颗粒反应性填料；以及(b1)用表面改性剂处理颗粒反应性填料的表面，以获得显示配体基团用于过渡金属的表面改性颗粒反应性填料；以及(b2)用含有过渡金属的试剂处理表面改性颗粒反应性填料，以使过渡金属与表面改性颗粒反应性填料表面上显示的配体基团形成络合物；和/或(c)用表面改性过渡金属络合物处理颗粒反应性填料的表面，该络合物是表面改性剂和过渡金属前体化合物的反应产物，以获得用于牙科离子聚合物水泥的过渡金属络合物表面改性颗粒反应性填料。
• Polymerizable dental composition
  申请人：DENTSPLY DETREY GmbH

  公开号：EP2759289A1

  公开（公告）日：2014-07-30

  A dental composition comprising a compound of the following formula (I) wherein A1, A2, A3, A4, and A5 are as defined in claim 1.

  一种包括以下化合物的牙科组合物（I）的化学式，其中A1、A2、A3、A4和A5如权利要求1所定义。
• [EN] POLYMERIZABLE DENTAL COMPOSITION<br/>[FR] COMPOSITION DENTAIRE POLYMÉRISABLE
  申请人：DENTSPLY DETREY GMBH

  公开号：WO2014114446A1

  公开（公告）日：2014-07-31

  A dental composition comprising a compound of the following formula (I) wherein A1, A2, A3, A4, and A5 are as defined in claim 1.

  一种包括以下化合物的牙科组合物（I）的化学式，其中A1、A2、A3、A4和A5如权利要求1中定义的。
• [EN] SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS D'AMIDE SUBSTITUÉS AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2017016669A1

  公开（公告）日：2017-02-02

  The present invention relates to substituted amide derivatives of formula (I) having dual pharmacological activity towards both the sigma (σ) receptor, and the p-opioid receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及式（I）的取代酰胺衍生物，具有对σ受体和p-阿片受体的双重药理活性，以及制备这类化合物的方法，包括它们的药物组成物，以及它们在治疗中的应用，特别是用于疼痛治疗。