3,4-二甲基苯甲醇

3,4-二甲基苯甲醇 基本信息
CAS号 6966-10-5 分子式 C9H12O
分子量 136.19100 精确质量  136.08900
PSA  20.23000 LogP  1.79570

基本信息 展开↓

CAS号:
6966-10-5
3D弹球模型:
立即前往扯扯看
分子式:
C9H12O
分子量:
136.19100
中文名称:
3,4-二甲基苯甲醇
英文名称:
3,4-Dimethylbenzyl Alcohol
中文别名:
3,4-二甲基苯甲醇;
3,4-二甲基苄醇
英文别名:
3,4-Dimethylbenzyl Alcohol;
(3,4-Dimethylphenyl)methanol
精确分子量/精确质量:
136.08900
极性分子表面积/PSA:
20.23000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00004647
EINECS:
230-175-0
PubChem:
24851319
InChI:
InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3

物化性质展开↓

外观与性状:
白色至淡黄色晶体粉末
密度:
1.002g/cm3
熔点:
62-65 °C(lit.)
沸点:
218-221 °C(lit.)
闪点:
218-221°C
折射率:
1.536
其它信息:

一、物性数据

性状:不可用

密度(g/mL,25/4): 不可用

相对蒸汽密度(g/mL,空气=1)不可用

熔点(ºC):58-63

沸点(ºC,常压):218-221

沸点(ºC,5.2kPa): 不可用

折射率: 不可用

闪点(ºC): 不可用

比旋光度(º): 不可用

自燃点或引燃温度(ºC): 不可用

蒸气压(kPa,25ºC): 不可用

饱和蒸气压(kPa,60ºC): 不可用

燃烧热(KJ/mol):不可用

临界温度(ºC): 不可用

临界压力(KPa): 不可用

油水(辛醇/水)分配系数的对数值:不可用 

爆炸上限(%,V/V):不可用

爆炸下限(%,V/V): 不可用

溶解性:不可用

安全信息展开↓

海关代码:
2906299090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R36/37/38
安全说明:
S36/37/39-S26-S22
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 38404-42-1

    3,4-二甲基苯甲酸甲酯

  • ~99%

  • 6966-10-5

    3,4-二甲基苯甲醇

  • 619-04-5

    3,4-二甲基苯甲酸

  • ~73%

  • 6966-10-5

    3,4-二甲基苯甲醇

  • 1309380-84-4

    1-(3,4-dimethylphenyl)propan-2-one O-naphthalen-2-ylsulfonyl oxime

  • ~8%

  • 6966-10-5

    3,4-二甲基苯甲醇

  • +

  • 65609-15-6

    N-[(3,4-dimethylphenyl)methyl]acetamide

化学图谱

  1. 3,4-二甲基苯甲醇红外图谱(IR1)

  2. 3,4-二甲基苯甲醇红外图谱(IR2)

  3. 3,4-二甲基苯甲醇质谱(MS)

  4. 3,4-二甲基苯甲醇核磁图(13CNMR)

  5. 3,4-二甲基苯甲醇Raman光谱

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毒理性展开↓

毒理学数据:

二、毒理学数据:

急性毒性:不可用 。

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: 3 4-Dimethylbenzyl alcohol 99% Material Safety Data Sheet
Synonym:
CAS: 6966-10-5
Section 1 - Chemical Product   MSDS Name:3 4-Dimethylbenzyl alcohol 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6966-10-5 3,4-dimethylbenzyl alcohol 99 230-175-0
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
Notes to Physician:

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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 6966-10-5: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 218.0 - 221.0 deg C
Freezing/Melting Point: 62.00 - 65.00 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: C9H12O
Molecular Weight: 136.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Acid chlorides, acid anhydrides, acids, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6966-10-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-dimethylbenzyl alcohol - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6966-10-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6966-10-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6966-10-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2906299090

概述:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1  摩尔折射率:42.35

2  摩尔体积m3/mol135.8

3  等张比容(90.2K):336.1

4  表面张力dyne/cm37.5

5  极化率10-24cm316.79

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