527-55-9 (4,5-二甲基间苯二酚,4,5-Dimethylbenzene-1,3-diol)

CAS号:
527-55-9
中文名称:
4,5-二甲基间苯二酚
英文名称:
4,5-Dimethylbenzene-1,3-diol
分子式:
C8H10O2
分子量:
138.163802623749

4,5-二甲基间苯二酚(527-55-9)名称与标识符

名称

中文别名:
4,5-二甲基间苯二酚;
英文别名:
4,5-Dimethylbenzene-1,3-diol;1,3-Benzenediol,4,5-dimethyl-;4,5-DIMETHYLRESORCINOL;1,3-dihydroxy-4,5-dimethylbenzene;1,5-dihydroxy-3,4-dimethylbenzene;1,5-dihydroxybenzene;2,3-dimethyl-5-hydroxyphenol;2,4-dihydroxy-6-methyltoluene;3,2-dimethylbenzene;4,5-dimethyl-1,3-dihydroxybenzene;4,5-dimethyl-benzene-1,3-diol;4-Methylorcinol;o-Xylorcinol;Resorcinol,5-dimethyl;NSC-243682;NSC 243682;1,2-Dimethyl-3,5-dihydroxybenzene;1,3-Dihydroxy-4,5-dimethyl benzene;AKOS006272741;Resorcinol, 4,5-dimethyl-;W3FCQ2N8R4;UNII-W3FCQ2N8R4;DTXSID40200663;SCHEMBL69242;4,5-Dimethyl-1,3-benzenediol;1,3-Benzenediol, 4,5-dimethyl-;3,5-Dihydroxy-1,2-dimethylbenzene;FT-0617207;4,5-Dimethyl-1,3-benzenediol #;NS00032573;Resorcinol,5-dimethyl-;A829236;527-55-9;NSC243682;3,5-Dihydroxy-o-xylene;4,5-Dimethyl-1,3-benzenediol;4,5-Dimethylbenzene-1,3-diol;o-Xylorcinol;G85884;DTXCID70123154;DB-071577;

标识符

MDL:
MFCD00195568
InChIKey:
RCNCKKACINZDOI-UHFFFAOYSA-N
Inchi:
1S/C8H10O2/c1-5-3-7(9)4-8(10)6(5)2/h3-4,9-10H,1-2H3
SMILES:
OC1=CC(=CC(C)=C1C)O

4,5-二甲基间苯二酚(527-55-9)物化性质

实验特性

  • LogP : 1.71460
  • PSA : 40.46000
  • 折射率 : 1.5231 (estimate)
  • 沸点 : 213.57°C (rough estimate)
  • 熔点 : 135-137 C
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 132.5±16.4 °C
  • 颜色与性状 : No data available
  • 密度 : 1.1994

计算特性

  • 精确分子量 : 138.06800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 138.06808
  • 重原子数量 : 10
  • 复杂度 : 114
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.9
  • 拓扑分子极性表面积 : 40.5

4,5-二甲基间苯二酚(527-55-9)推荐厂家 更多厂家(6)

4,5-二甲基间苯二酚(527-55-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Insights into alkaline choline chloride-based deep eutectic solvents pretreatment for Populus deltoides: Lignin structural features and modification mechanism
Li, Haichao; et al, International Journal of Biological Macromolecules, 2021, 193, 319-327

4,5-二甲基间苯二酚(527-55-9)相关文献

4,5-二甲基间苯二酚(527-55-9)参考资料

Reaxys RN:
PubChem CID:

4,5-二甲基间苯二酚(527-55-9) MSDS

基础信息

Name:4 5-Dimethylresorcinol Material Safety Data Sheet
Synonym:None Known
CAS:527-55-9
Section 1 - Chemical Product ? MSDS Name:4 5-Dimethylresorcinol Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
527-55-94,5-Dimethylresorcinolca. 100unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Light sensitive.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Handle under an inert atmosphere. Store protected from air. Use only in a chemical fume hood. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Do not expose to air. Store protected from light. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 527-55-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 284 deg C
Freezing/Melting Point: 136 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H10O2
Molecular Weight: 138.0688

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Air sensitive. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, dust generation, exposure to air, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 527-55-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Dimethylresorcinol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 527-55-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 527-55-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 527-55-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A