2,2-二苄基-1,3-丙二醇 | 31952-16-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 2,2-二苄基-1,3-丙二醇
• 中文别名: 2,2-双(苯基甲基)-1,3-丙二醇
• 英文名称: 2,2-dibenzyl-1,3-propanediol
• 英文别名: 2,2-dibenzylpropane-1,3-diol
• CAS: 31952-16-6
• 化学式: C₁₇H₂₀O₂
• 分子量: 256.345
• InChiKey: AZLRECYOMFCGTK-UHFFFAOYSA-N

物化性质

• 熔点：
  84-88 °C
• 沸点：
  442.1±40.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36
• 海关编码：
  2906299090
• WGK Germany：
  2
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  1759
• 危险性描述：
  H318

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,2-Dibenzyl-1,3-propanediol
CAS-No. : 31952-16-6
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 [EU-GHS/CLP]
Serious eye damage (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H318 Causes serious eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36 Irritating to eyes.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 2,2-Bis(phenylmethyl)-1,3,propanediol
Formula : C17H20O2
Molecular Weight : 256,34 g/mol
Component Concentration
2,2-Dibenzyl-1,3-propanediol
CAS-No. 31952-16-6 -

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
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 vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

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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
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, 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 particle
respirator type N100 (US) or type P3 (EN 143) 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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 84 - 88 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation 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: 2,074
octanol/water
p) Autoignition 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
no data available
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

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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 sensitization
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
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
no data available
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. Contact a licensed
professional waste disposal service to dispose of this material. 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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2,2-二苄基-1,3-丙二醇 在 氢氧化钾 、 氢溴酸 作用下， 生成 (2-苄基-2-丙烯-1-基)苯
  参考文献：
  名称：

  Oxetanes. IX. Structural and Solvent Effects in the Reaction of γ-Bromoalcohols with Base^1,2

  摘要：

  DOI：

  10.1021/jo01094a001
• 作为产物：
  描述：

  氯化苄 在 lithium aluminium tetrahydride 、 乙醇 、 sodium 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 2,2-二苄基-1,3-丙二醇
  参考文献：
  名称：

  Czech, Bronislaw P.; Zazulak, Wolodymyr; Kumar, Anand, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 5, p. 1387 - 1394

  摘要：

  DOI：

文献信息

• Direct transformation of dialkyl sulfates into alkyllithium reagents by a naphthalene-catalysed lithiation
  作者：David Guijarro、Gabricia Guillena、Balbino Mancheño、Miguel Yus

  DOI：10.1016/s0040-4020(01)87022-8

  日期：1994.3

  The lithiation of primary and secondary dialkyl sulfates with an excess of lithium powder in the presence of a catalytic amount of naphthalene (4 mol %) in THF at −78°C leads to the corresponding alkyllithium reagents (1:2 molar ratio) which react with different electrophiles, mainly carbonyl compounds, to yield after hydrolysis, the expected coupling products. This methodology represents an indirect

  在-78°C下在THF中催化量的萘（4摩尔％）存在下，用过量的锂粉对伯和仲硫酸二烷基酯进行锂化反应，生成相应的烷基锂试剂（摩尔比为1：2）与不同的亲电试剂，主要是羰基化合物，水解后生成预期的偶联产物。该方法学代表通过相应的硫酸二烷基酯将醇转化为有机锂化合物的间接方法。当对五或六元环状硫酸盐（衍生自1,2-或1,3-二醇）进行相同操作时，仅获得分别由β-或γ-消除过程产生的产物（提供烯烃或环丙烷） 。
• 五元环亚磷酸酯类化合物及其制备方法和应用
  申请人：恒大新能源技术（深圳）有限公司

  公开号：CN111217855A

  公开（公告）日：2020-06-02

  本发明属于电池技术领域，尤其涉及一种所述五元环亚磷酸酯类化合物，所述五元环亚磷酸酯类化合物的结构通式如下式1所示，其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17和R18分别独立的选自：氢、烷基、烯基、炔基、烷氧基、炔氧基、烯氧基、硅烷基、硅氧烷基、芳基硅基、芳基硅氧基、卤代烷基、苯基、联苯基、萘基、吡啶基、噻吩基、卤代苯基、卤代联苯、苯酚基、含烷基的苯酚基、含烯基的苯酚基、含炔基的苯酚基、含腈基的苯酚基、单卤代苯酚基、多卤代苯酚基中的一种。本发明提供的五元环亚磷酸酯类化合物具有优异的阻燃性能，当应用到电池领域时可有效防止电解液被氧化，减少电解液在正极的氧化分解，显著提升电池的高温、循环和存储等综合性能。
• 五元环磷酸酯类化合物及其制备方法和应用
  申请人：恒大新能源技术（深圳）有限公司

  公开号：CN111217856A

  公开（公告）日：2020-06-02

  本发明属于阻燃技术领域，尤其涉及一种五元环磷酸酯类化合物，所述五元环磷酸酯类化合物的结构通式如下式1所示，其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17和R18分别独立的选自：氢、烷基、烯基、炔基、烷氧基、炔氧基、烯氧基、硅烷基、硅氧烷基、芳基硅基、芳基硅氧基、卤代烷基、苯基、联苯基、萘基、吡啶基、噻吩基、卤代苯基、卤代联苯、苯酚基、含烷基的苯酚基、含烯基的苯酚基、含炔基的苯酚基、含腈基的苯酚基、单卤代苯酚基、多卤代苯酚基中的一种。本发明提供的五元环磷酸酯类化合物具有优异的阻燃性能，当应用到电池领域时可有效防止电解液被氧化，减少电解液在正极的氧化分解，显著提升电池的高温、循环和存储等综合性能。
• The Synthesis and Crystal Structure of β-Substituted Thiaporphyrins with Novel Cyclic Substituents
  作者：Neeraj Agarwal、Sarada Prasad Mishra、Chen-Hsiung Hung、Anil Kumar、Mangalampalli Ravikanth

  DOI：10.1246/bcsj.77.1173

  日期：2004.6

  21,23-Dithiaporphyrins and 21-monothiaporphyrins with propane-1,3-diyldioxy and its derivatives at the β-thiophene carbons were synthesized and characterized. The cyclic substituents introduced at the β-thiophene carbons altered the electronic properties of the porphyrins. The X-ray structure for 2,3-bis(2,2-dibenzylpropane-1,3-diyldioxy) substituted 21-monothiaporphyrin showed a more planar structure compared to the saddle shaped structure reported for β-unsubstituted 21-monothiaporphyrins.

  合成并表征了21,23-二硫卟啉和21-单硫卟啉，这些化合物在β-噻吩碳原子处引入了丙烷-1,3-二醇氧和其衍生物。引入的环状取代基改变了卟啉的电子性质。2,3-双(2,2-二苄基丙烷-1,3-二醇氧)取代的21-单硫卟啉的X射线结构显示出比已经报道的β-未取代21-单硫卟啉的鞍形结构更平面。
• COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE
  申请人：Ashwin-Ushas Corporation, Inc.

  公开号：US20130120821A1

  公开（公告）日：2013-05-16

  A complimentary polymer or “dual-polymer” electrochromic device and methods of preparing the same are provided.

  提供了一种互补聚合物或“双聚合物”电致变色器件以及制备该器件的方法。