4,4’-(1,1-二甲基-3-亚甲基-1,3-亚丙基)双苯酚 - CAS号 13464-24-9

物化性质

熔点：

128-132 °C
沸点：

422.5±30.0 °C(Predicted)
密度：

1.103±0.06 g/cm3(Predicted)
溶解度：

氯仿（微溶）、二氯甲烷（微溶）、甲醇（微溶）

计算性质

辛醇/水分配系数(LogP)：

5.3
重原子数：

20
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.22
拓扑面积：

40.5
氢给体数：

2
氢受体数：

2

安全信息

海关编码：

2907299090

SDS

SDS：b9ea762644619502208cddb6c3920522

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2,4-BIS(4-HYDROXYPHENYL)-4-METHYL-1-
PENTENE
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. : 13464-24-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
Acute aquatic toxicity (Category 1), H400
Chronic aquatic toxicity (Category 1), H410
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
Xi, N Irritant, Dangerous for the R36/37/38, R50/53
environment
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 Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H410 Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P273 Avoid release to the environment.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P501 Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazard none
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula : C18H20O2
Molecular Weight : 268,36 g/mol
CAS-No. : 13464-24-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2,4-BIS(4-HYDROXYPHENYL)-4-METHYL-1-PENTENE
Skin Irrit. 2; Eye Irrit. 2; STOT -
SE 3; Aquatic Acute 1; Aquatic
Chronic 1; H315, H319, H335,
H410
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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
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

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

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. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
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.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. 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

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
Safety glasses with side-shields conforming to EN166 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
impervious 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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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. Discharge into
the environment must be avoided.

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: 5,278
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

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

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
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
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.

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
Very toxic to aquatic life with long lasting effects.

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.

SECTION 14: Transport information
UN number
ADR/RID: 3077 IMDG: 3077 IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (2,4-BIS(4-
HYDROXYPHENYL)-4-METHYL-1-PENTENE)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (2,4-BIS(4-
HYDROXYPHENYL)-4-METHYL-1-PENTENE)
IATA: Environmentally hazardous substance, solid, n.o.s. (2,4-BIS(4-HYDROXYPHENYL)-4-
METHYL-1-PENTENE)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Aquatic Acute Acute aquatic toxicity
Aquatic Chronic Chronic aquatic toxicity
Eye Irrit. Eye irritation
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H400 Very toxic to aquatic life.
H410 Very toxic to aquatic life with long lasting effects.
Full text of R-phrases referred to under sections 2 and 3
R36/37/38 Irritating to eyes, respiratory system and skin.
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic
environment.
Further information
Copyright 2013 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：

4,4’-(1,1-二甲基-3-亚甲基-1,3-亚丙基)双苯酚、对硝基氯苯生成 1-[4-Methyl-4-[4-(4-nitrophenoxy)phenyl]pent-1-en-2-yl]-4-(4-nitrophenoxy)benzene

参考文献：

名称：

YAMAGUTI, KEHJSABURO;JOSIKAVA, YUKIXIRO;SUGIMOTO, KEHNITI;YAMAGUTI, AKIXI+

摘要：

DOI：
作为产物：

描述：

双酚A 在硫酸、水作用下，反应 0.33h，以76%的产率得到4,4’-(1,1-二甲基-3-亚甲基-1,3-亚丙基)双苯酚

参考文献：

名称：

双酚A生成稳定的4- [2-异亚丙基]-苯酚碳正离子的方法及合成用途。

摘要：

[反应：请参见文本]通过在环境温度下在浓硫酸中添加双酚A可以轻松生成稳定的4- [2-异亚丙基]-苯酚碳正离子，IPP阳离子，该阳离子可用于简便地合成4-异丙烯基苯酚（IPP），IPP二聚体和螺双酚衍生物。

DOI：

10.1021/ol0493305

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文献信息

Sequential olefination–dimerisation of benzylic dithioacetals by the nickel-catalysed reaction with methyl Grignard or zinc reagent

作者：Lei Yu、Guo-Qiao Lai、Pinglu Zhang、Ze Li、Tien-Yau Luh

DOI：10.1039/d2ra00841f

日期：——

main group elements from cross-coupling reactions have been shown to serve as Lewis acids, mediating further reactions of organic coupling products. Thus, the nickel-catalysed olefination of benzylic dithioacetal with MeMgI in benzene in a sealed Schlenk tube at 130 °C generates magnesium mercaptide which regioselectively converts 2-arylpropene into a dimer in good yield. Aryl iodide reacts with 2-propenylmagnesium

交叉偶联反应的主族元素产物已被证明可充当路易斯酸，介导有机偶联产物的进一步反应。因此，在密封的 Schlenk 管中，在 130 °C 下，镍催化的苄基二硫缩醛与 MeMgI 在苯中的烯化反应生成硫醇镁，该硫醇镁以良好的产率区域选择性地将 2-芳基丙烯转化为二聚体。芳基碘与2-丙烯基溴化镁在1,2-乙二硫醇和NiCl 2 (PPh 3 ) 2存在下反应生成相同的二聚体。用有机锌试剂代替格氏试剂可以得到更高产率的二聚体。
TREATMENT OF BISPHENOL-A RESIDUE STREAMS

申请人：PALMER David P.

公开号：US20120310014A1

公开（公告）日：2012-12-06

In a method of treating a residue stream from the production of bisphenol-A, the residue stream is contacted with an aqueous solution of a base under conditions effective to hydrolyze at least part of said residue stream into acetone and phenol and produce an effluent stream. Acetone is recovered from the effluent stream to produce a phenol-containing mixed phase stream which is substantially free of acetone and which contains water and unhydrolyzed heavy organic compounds. The phenol-containing mixed phase stream is then treated with a water-immiscible organic solvent to extract phenol and unhydrolyzed heavy organic compounds into said solvent and produce an organic phase containing the solvent, phenol and unhydrolyzed heavy aromatic compounds and an aqueous phase with reduced concentrations of phenol and unhydrolyzed heavy organic compounds. At least part of the phenol and the organic solvent are subsequently recovered from the organic phase.

一种处理双酚A生产废渣流的方法，包括将废渣流与碱性水溶液接触，在有效条件下使废渣流至少部分水解为丙酮和苯酚，并产生一种流出物。从流出物中回收丙酮，以产生含苯酚的混合相流，该流体基本上不含丙酮，含有水和未水解的重有机化合物。然后，将含苯酚的混合相流与不溶于水的有机溶剂处理，以提取苯酚和未水解的重有机化合物到所述溶剂中，并产生含有溶剂、苯酚和未水解的重芳香化合物的有机相和降低苯酚和未水解的重有机化合物浓度的水相。随后，从有机相中至少回收部分苯酚和有机溶剂。
[EN] SYNTHESIS OF BISPHENOLS<br/>[FR] SYNTHÈSE DE BISPHÉNOLS

申请人：SABIC GLOBAL TECHNOLOGIES BV

公开号：WO2016009362A1

公开（公告）日：2016-01-21

Various embodiments disclosed relate to methods and apparatus for synthesizing various biphenols. In various embodiments, the present invention provides a method of making a bisphenol including feeding a phenol at or proximate to the first end of a reactor column including a first end and a second end and including a solid catalyst distributed in multiple locations between the first end and the second end of the reactor column. The method includes feeding an oxomethylene compound to the reactor column at a first location that is at or proximate the first end and at one or more additional locations between the first location and the second end of the reactor column, and removing at least some water from the reactor column. The method includes removing a product composition including a diphenolmethylene product at or proximate to the second end of the reactor column.

本发明涉及用于合成各种双苯酚的方法和装置的各种实施方式。在各种实施方式中，本发明提供了一种制造双酚的方法，包括在反应器柱的第一端或靠近第一端处提供苯酚，并在反应器柱的第一端和第二端之间的多个位置分布有固体催化剂的反应器柱中，在第一位置处向反应器柱提供氧甲基化合物，在第一位置和第二端之间的一个或多个附加位置处向反应器柱提供氧甲基化合物，并从反应器柱中至少去除一些水。该方法包括在反应器柱的第二端或靠近第二端处去除包括双苯酚甲烷产物的产物组成。
Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin

申请人：——

公开号：US20040260039A1

公开（公告）日：2004-12-23

There are disclosed a process for producing an organic compound in the presence of a particular substituted triarylphosphine compound, particularly, a process for producing an oxyalkylene derivative at a high yield using the above compound which is very active and easy to handle, by reacting an organic epoxy compound with a carboxylic acid ester, a carboxylic acid anhydride, a sulfonic acid ester or a carbonic acid ester, and an epoxy resin composition using a particular substituted triarylphosphine compound as a curing accelerator, a cured material of the composition and a semiconductor device using the composition.

本文披露了一种在特定取代三芳基膦化合物存在下生产有机化合物的工艺，特别是一种使用上述化合物作为催化剂，通过将有机环氧化合物与羧酸酯、羧酸酐、磺酸酯或碳酸酯反应，以及使用特定取代三芳基膦化合物作为固化促进剂的环氧树脂组合物的工艺，从而高产地生产氧代烷基衍生物，还包括该组合物的固化材料和使用该组合物的半导体器件。
A linear trimer of p-isopropenyl phenol, a process for the preparation of the trimer, epoxy resins cured using the trimer and an epoxy derivative of the trimer

申请人：MITSUI TOATSU CHEMICALS, Inc.

公开号：EP0002887A1

公开（公告）日：1979-07-11

A linear trimer of p-isopropenyl phenol having the formula: is provided which can be readily prepared, easily isolated and is useful as a curing agent for epoxy resins. The linear trimer may be a cis-isomer (m.p. 225.5-227° C) and a trans-isomer (m.p. 167-168° C). It can be prepared by reacting p-isopropenyl phenol or a linear polymer thereof in the presence of an acid catalyst such as sulphuric acid, boron fluoride or activated clay and an organic solvent such as an aromatic hydrocarbon, halogenated hydrocarbon, substituted aromatic hydrocarbon or aprotic polar solvent (e.g. benzene, carbon tetrachloride, nitrobenzene or dioxane).

本发明提供了一种对异丙苯基苯酚的线性三聚体，其化学式为提供了一种易于制备和分离的对异丙烯基苯酚线性三聚体，可用作环氧树脂的固化剂。该线性三聚物可以是顺式异构体（熔点 225.5-227 摄氏度）和反式异构体（熔点 167-168 摄氏度）。对异丙烯基苯酚或其线性聚合物可在酸催化剂（如硫酸、氟化硼或活性白土）和有机溶剂（如芳香烃、卤代烃、取代芳香烃或钝极性溶剂（如苯、四氯化碳、硝基苯或二噁烷））存在下进行反应而制备。

4,4’-(1,1-二甲基-3-亚甲基-1,3-亚丙基)双苯酚 | 13464-24-9

分子结构分类

物化性质

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反应信息

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