3637-01-2 (3,4-二甲基苯乙酮,1-(3,4-dimethylphenyl)ethan-1-one)

快速询单

结构式：

3,4-二甲基苯乙酮MOL文件

CAS号：

3637-01-2

中文名称：

3,4-二甲基苯乙酮

英文名称：

1-(3,4-dimethylphenyl)ethan-1-one

分子式：

C₁₀H₁₂O

分子量：

148.201683044434

3,4-二甲基苯乙酮(3637-01-2)名称与标识符

名称

中文别名：

3,4-二甲基苯乙酮;3',4'-二甲基苯乙酮;3`,4`-二甲基苯乙酮;1-(3,4-二甲基苯基)乙-1-酮;4－溴代－1,2－二甲酰基吡唑烷;

英文别名：

1-(3,4-Dimethylphenyl)ethanone;3,4-Dimethylacetophenone;3',4'-Dimethylacetophenone;3’,4’-DIMETHYLACETOPHENONE;3′,4′-Dimethylacetophenone;1-(3,4-Dimethylphenyl)ethan-1-one;3 inverted exclamation marka,4 inverted exclamation marka-Dimethylacetophenone;3,4-(CH3)2C6H3-COCH3;Acetophenone, 3',4'-dimethyl-;CHEMBL549898;AC-19782;3637-01-2;NS00048345;(3,4-Dimethylphenyl)ethanone;Q27286469;A6290;CS-W014398;3',4'-Dimethylacetophenone, 98%;DTXSID0063109;SY061591;PC1L145T5V;FT-0614364;InChI=1/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H;AS-14424;PHENYLMERCURYNITRATE;EINECS 222-859-2;EN300-20237;W-106622;F9995-0151;Ethanone, 1-(3,4-dimethylphenyl)-;34Dimethylacetophenone;1-(3,4-dimethyl-phenyl)-ethanone;C13333;A823216;METHYL 3,4-DIMETHYLPHENYL KETONE;BP-12707;UNII-PC1L145T5V;1-(3,4-Dimethylphenyl)ethanone #;3/'.4/'-Dimethyl acetophenone;AKOS000119377;3,4-dimethyl-acetophenone;MFCD00008743;1-(3,4-DimethylphenyI)ethanone;3.4-Dimethylacetophenon;SCHEMBL110321;Z104477440;3 inverted exclamation mark ,4 inverted exclamation mark -Dimethylacetophenone;ALBB-004401;STK500750;3\\',4\\'-Dimethylacetophenone;

标识符

MDL：

MFCD00008743

InChIKey：

WPRAXAOJIODQJR-UHFFFAOYSA-N

Inchi：

1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3

SMILES：

O=C(C)C1C=CC(C)=C(C)C=1

BRN：

907053

3,4-二甲基苯乙酮(3637-01-2)物化性质

实验特性

LogP : 2.50600
PSA : 17.07000
折射率 : n20/D 1.538(lit.)
沸点 : 243 °C(lit.)
熔点 : -1.5°C
闪点 : 华氏：217.4 °F
摄氏：103 °C
颜色与性状 : 无色透明之浅黄色液体
溶解性 : 不溶于水，溶于乙醇、乙醚、苯、乙酸、四氯化碳。
密度 : 1.001 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 148.08900
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 148.088815002g/mol
重原子数量 : 11
复杂度 : 151
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） : 2.9
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 17.1

3,4-二甲基苯乙酮(3637-01-2)安全信息

WGK Germany： 3
安全术语： S26;S39
安全说明： S39-S26
风险术语： R20/22; R36
危险品标志： Xn
危险品运输编号： NONH for all modes of transport
危险类别码： R20/22;R36
TSCA： Yes
HazardClass： IRRITANT

3,4-二甲基苯乙酮(3637-01-2)国际标准相关数据

EINECS：

222-859-2

3,4-二甲基苯乙酮(3637-01-2)海关数据

海关编码：

2914399090

海关数据：

中国海关编码：

2914399090

概述：

2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 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, 丙酮报明包装

Summary：

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

3,4-二甲基苯乙酮(3637-01-2)推荐厂家更多厂家(36)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单

3,4-二甲基苯乙酮(3637-01-2)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium ; 1 h, 350 °C; 4 h, 350 °C

参考文献：

Catalytic hydrotreatment of pyrolytic lignins from different sources to biobased chemicals: Identification of feed-product relations

Figueiredo, M. B.; Deuss, P. J.; Venderbosch, R. H.; Heeres, H. J., Biomass and Bioenergy, 2020, 134,

3,4-二甲基苯乙酮(3637-01-2)上下游

4-(3,4-二甲基-苯基)-噻唑-2-基胺顺-2-（P-甲基苯甲酰基）-1-环己烷羧酸 2-氨基-3,4-二甲基苯甲酸

3,4-二甲基苯乙酮(3637-01-2)相关文献

1. 59. The isomerisation of some aromatic ketones with aluminium chloride
G. Baddeley J. Chem. Soc. 1944 232
2. Biphenylenes. Part XX. Synthesis of some di- and tetra-methoxy-polymethylbiphenylenes
D. W. Lawson,J. F. W. McOmie,D. E. West J. Chem. Soc. C 1968 2414
3. 2-Hydroxymethyl-4-[5-(4-methoxyphenyl)-3-trifluoromethyl-1H-1-pyrazolyl]-1-benzenesulfonamide (DRF-4367): an orally active COX-2 inhibitor identified through pharmacophoric modulation
Sunil Kumar Singh,Saibaba Vobbalareddy,Srinivasa Rao Kalleda,Shaikh Abdul Rajjak,Seshagiri Rao Casturi,Srinivasa Raju Datla,Rao N. V. S. Mamidi,Ramesh Mullangi,Ravikanth Bhamidipati,Rajagopalan Ramanujam,Venkateswarlu Akella,Koteswar Rao Yeleswarapu Org. Biomol. Chem. 2004 2 2442
4. Ammonium iodide-promoted cyclization of ketones with DMSO and ammonium acetate for synthesis of substituted pyridines
Xiaojun Pan,Qiao Liu,Liming Chang,Gaoqing Yuan RSC Adv. 2015 5 51183
5. The stobbe condensation of 3,4-disubstituted acetophenones with diethyl succinate
M. F. El-Newaihy,M. A. El-Hashash J. Chem. Soc. C 1971 2373
6. Gladiolic acid. Part V. Syntheses of some methoxybenzenetricarboxylic acids
D. Gardner,John Frederick Grove,Doreen Ismay J. Chem. Soc. 1954 1817
7. 324. 3 : 4-, 3 : 5-, and 3 : 6-Dimethylcatechol
Wilson Baker,H. F. Bondy,J. Gumb,D. Miles J. Chem. Soc. 1953 1615
8. An efficient synthesis of polysubstituted pyrroles via copper-catalyzed coupling of oxime acetates with dialkyl acetylenedicarboxylates under aerobic conditions
Xiaodong Tang,Liangbin Huang,Chaorong Qi,Wanqing Wu,Huanfeng Jiang Chem. Commun. 2013 49 9597
9. 625. Electric dipole moment studies on the conjugation and stereochemistry of some unsaturated ketones and aldehydes. Parts I and II
J. Breeze Bentley,K. B. Everard,Ralph J. B. Marsden,L. E. Sutton J. Chem. Soc. 1949 2957
10. 205. Hydrogen chloride–aluminium chloride as an agent of isomerisation
G. Baddeley J. Chem. Soc. 1950 994

3,4-二甲基苯乙酮(3637-01-2)参考资料

Beilstein：

222-859-2

PubChem CID：

77193

3,4-二甲基苯乙酮(3637-01-2) MSDS

基础信息

Name:	3 4 -Dimethylacetophenone 97% Material Safety Data Sheet
Synonym:	None
CAS:	3637-01-2

Section 1 - Chemical Product ? MSDS Name:3 4 -Dimethylacetophenone 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3637-01-2	3',4'-Dimethylacetophenone, 97%	97%	222-859-2

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 gastrointestinal irritation with nausea, vomiting and diarrhea. 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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Do not induce vomiting. 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.
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 if cough or other symptoms appear.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Do not get on skin or in eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3637-01-2: 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: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 243 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 102 deg C ( 215.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0010g/cm3
Molecular Formula: C10H12O
Molecular Weight: 148.20

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents and strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 3637-01-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3',4'-Dimethylacetophenone, 97% - 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.
WGK (Water Danger/Protection)
CAS# 3637-01-2: No information available.
Canada
CAS# 3637-01-2 is listed on Canada's DSL List.
CAS# 3637-01-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3637-01-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A