(1-甲基萘-4-基)甲醇 | 57322-44-8

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: (1-甲基萘-4-基)甲醇
• 英文名称: 4-methyl-1-naphthylmethanol
• 英文别名: 4-methylnaphthalene-1-methanol；4-methyl-1-naphthylcarbinol；4-methyl-1-naphthalenemethanol；1-Methyl-4-hydroxymethylnaphthalin；1¹-Oxy-1.4-dimethyl-naphthalin；1-Hydroxymethyl-4-methyl-naphthalin；4-Methyl-1-hydroxymethyl-naphthalin；(4-Methyl-naphthyl-(1))-carbinol；(4-Methylnaphthalen-1-yl)methanol
• CAS: 57322-44-8
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: RRSGUDDGNKMFRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储于室温、干燥且密封的环境中。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-METHYL-1-NAPHTHALENEMETHANOL
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. : 57322-44-8
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
Acute toxicity, Oral (Category 4), H302
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
Xn Harmful R22
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)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C12H12O
Molecular Weight : 172,23 g/mol
CAS-No. : 57322-44-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-METHYL-1-NAPHTHALENEMETHANOL
CAS-No. 57322-44-8 Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
4-METHYL-1-NAPHTHALENEMETHANOL
CAS-No. 57322-44-8 Xn, R22 <= 100 %
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. 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
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. Ensure
adequate ventilation. 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.

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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)
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
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
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
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.

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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: 2,911
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
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
Toxic to aquatic life.
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (1-甲基萘-4-基)甲醇 在 4-二甲氨基吡啶 、 bis(1,5-cyclooctadiene)nickel (0) 、 1,3-双(二苯基膦)丙烷 、 potassium tert-butylate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 (E)-1-甲基-4-苯乙烯基萘
  参考文献：
  名称：

  Nickel-catalyzed synthesis of (E)-olefins from benzylic alcohol derivatives and arylacetonitriles via C–O activation

  摘要：

  描述了一种高效的镍催化合成方法，使用易得的苄基醇衍生物和芳基乙腈合成(E)-烯烃。这种转化应该通过涉及镍催化的交叉偶联，通过C-O活化和随后的立体选择性E2消除的串联过程进行。

  DOI：

  10.1039/c5cc10005d
• 作为产物：
  描述：

  1,4-二甲基萘 在 ammonium cerium(IV) nitrate 、 水 作用下， 以 二甲基亚砜 为溶剂， 生成 (1-甲基萘-4-基)甲醇
  参考文献：
  名称：

  Cort, Antonella Dalla; Mandolini, Luigi, Gazzetta Chimica Italiana, 1984, vol. 114, # 5/6, p. 283 - 284

  摘要：

  DOI：

文献信息

• Photochemistry of substituted 1-naphthylmethyl esters of phenylacetic and 3-phenylpropanoic acid: radical pairs, ion pairs, and Marcus electron transfer
  作者：Dayal P. DeCosta、James A. Pincock

  DOI：10.1021/ja00059a012

  日期：1993.3

  The ring-substituted 1-naphthylmethyl esters of phenylacetic (3a-k) and 3-phenylpropanoic (5a-c) acid have been photolyzed in methanol solvent. The major products of these reactions are derived from two critical intermediates, the 1-naphthylmethyl radical/acyloxy radical pair and the 1-naphthylmethyl cation/carboxylate anion ion pair. The radical pair results in formation of the in-cage coupled products

  苯乙酸 (3a-k) 和 3-苯基丙酸 (5a-c) 酸的环取代 1-萘基甲酯已在甲醇溶剂中光解。这些反应的主要产物来自两个关键中间体，即 1-萘甲基自由基/酰氧基自由基对和 1-萘甲基阳离子/羧酸根阴离子对。在从酰氧基中失去二氧化碳后，自由基对导致形成笼内偶联产物 8a-k 和 10a-c。离子对导致甲基醚 6a-k 和羧酸 7 和 9
• Controlled Photochemical Release of Nitric Oxide from <i>O</i>²-Naphthylmethyl- and <i>O</i>²-Naphthylallyl-Substituted Diazeniumdiolates
  作者：K. Mani Bushan、Hua Xu、Patrick H. Ruane、Raechelle A. D'Sa、Christopher M. Pavlos、Joseph A. Smith、Tevye C. Celius、John P. Toscano

  DOI：10.1021/ja027957h

  日期：2002.10.1

  effect on the observed photochemistry, with the appropriate substitution pattern resulting in efficient diazeniumdiolate photorelease. Observed nitric oxide release rates from these photoprecursors are consistent with those expected for normal thermal dissociation of the diazeniumdiolate in aqueous solutions and show the same pH dependence.

  已经研究了 O2-萘基甲基-和 O2-萘基烯丙基-取代的二氮烯鎓二醇的光化学。供电子甲氧基取代对观察到的光化学具有显着影响，适当的取代模式导致有效的二氮烯二醇光释放。从这些光前体观察到的一氧化氮释放速率与二氮烯二醇在水溶液中正常热解离的预期一致，并显示出相同的 pH 依赖性。
• Nickel-Catalyzed Direct C–H/C–O Cross Couplings Generating Fluorobenzenes and Heteroarenes
  作者：Jing Xiao、Tieqiao Chen、Li-Biao Han

  DOI：10.1021/ol503607h

  日期：2015.2.20

  The Ni-catalyzed direct C–H/C–O cross couplings of benzylic alcohol derivatives with fluorobenzenes and heteroarenes are disclosed. This transformation provides a straightforward and efficient method for the synthesis of these valuable heteroatom-containing compounds.

  公开了镍催化的苄醇衍生物与氟苯和杂芳烃的直接C / H / C-O交叉偶联。这种转化为合成这些有价值的含杂原子的化合物提供了一种直接有效的方法。
• Pd-Catalyzed Dearomative Allylation of Benzyl Phosphates
  作者：Masaaki Komatsuda、Kei Muto、Junichiro Yamaguchi

  DOI：10.1021/acs.orglett.8b01807

  日期：2018.7.20

  Dearomative C–C bond formation of benzyl phosphates has been developed. In the presence of a palladium/PAr3 catalyst, benzyl phosphates reacted with allyl borates to generate the allylated product in a dearomative fashion. The resulting dearomatized molecules were successfully derivatized by Simmons–Smith cyclopropanation and oxidation.

  已经开发出苄基磷酸的脱芳香族C–C键形成。在钯/ PAr 3催化剂的存在下，磷酸苄酯与硼酸烯丙酯反应，以脱芳族方式生成烯丙基化产物。产生的脱芳烃分子已通过Simmons-Smith环丙烷化和氧化作用成功衍生。
• Photodecarboxylation of Substituted Naphthylmethyl Arylacetate Esters: Synthesis of Naphthylarylethanes
  作者：James W. Hilborn、Reinaldo Moya-Barrios、Alison Thompson

  DOI：10.1021/acs.joc.9b01871

  日期：2019.9.20

  naphthylmethyl arylacetate esters is reported where the aryl group is able to stabilize a charge transfer reaction. The reaction proceeds via intramolecular charge transfer from the donor to acceptor, thereby enhancing a pathway to produce, within the solvent cage, the desired diarylethane products. These in-cage naphthylarylethanes are produced in good yields, in a single photochemical step, with the use

  据报道，通过萘基甲基芳基乙酸乙酸酯的光脱羧合成萘基芳基乙烷，其中芳基能够稳定电荷转移反应。反应通过从供体到受体的分子内电荷转移而进行，从而增强了在溶剂笼内产生所需二芳基乙烷产物的途径。这些笼中萘基芳基乙烷在单个光化学步骤中以高收率生产，使用环己烷作为溶剂可提供最佳收率。