932-66-1 (1-乙酰环己烯,1-Acetyl-1-cyclohexene)

CAS号:
932-66-1
中文名称:
1-乙酰环己烯
英文名称:
1-Acetyl-1-cyclohexene
分子式:
C8H12O
分子量:
124.180282592773

1-乙酰环己烯(932-66-1)名称与标识符

名称

中文别名:
1-乙酰基-1-环己烯;1-乙酰基环已烯;乙酰基环已烯;1-乙酰环己烯;
英文别名:
1-(Cyclohex-1-en-1-yl)ethanone;1-(1-CYCLOHEXEN-1-YL)ETHANONE;1-ACETYL-1-CYCLOHEXENE;Ethanone,1-(1-cyclohexen-1-yl)-;1-Acetylcyclohexene;1-cyclohex-1-enyl-ethanone;1-(1-Cyclohexen-1-yl)ethanone (ACI);Ketone, 1-cyclohexen-1-yl methyl (7CI, 8CI);1-(Cyclohex-1-en-1-yl)ethan-1-one;1-Cyclohexen-1-yl methyl ketone;1-Cyclohexen-1-ylethanone;1-Cyclohexenyl methyl ketone;Methyl 1-cyclohexenyl ketone;NSC 12216;

标识符

InChIKey:
LTYLUDGDHUEBGX-UHFFFAOYSA-N
Inchi:
1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
SMILES:
O=C(C)C1CCCCC=1

1-乙酰环己烯(932-66-1)物化性质

实验特性

  • LogP : 2.07580
  • PSA : 17.07000
  • 折射率 : n20/D 1.49(lit.)
  • 沸点 : 201-202 °C(lit.)
  • 熔点 : 73 °C
  • 闪点 : 华氏:150.8 °F
    摄氏:66 °C
  • 颜色与性状 : 无色液体
  • 溶解性 : 溶于乙醇、乙醚。
  • 密度 : 0.966 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 124.08900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 重原子数量 : 9
  • 复杂度 : 145
  • 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
  • 互变异构体数量 : 5
  • 表面电荷 : 0

1-乙酰环己烯(932-66-1)安全信息

1-乙酰环己烯(932-66-1)海关数据

海关编码:
2914299000
海关数据:

中国海关编码:

2914299000

概述:

2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 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:

2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

1-乙酰环己烯(932-66-1)推荐厂家 更多厂家(23)

公司名称手机号/电话联系人QQ微信询单
北京百灵威科技有限公司 18210857532翟先生 3650742139
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
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深圳市瑞吉特生物科技有限公司 15813841136
0755-89459231
钦先生 1029374309
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
询单

1-乙酰环己烯(932-66-1)合成路线

合成路线:1 步
反应条件:
参考文献:
A structure/catalytic activity study of gold(I)-NHC complexes, as well as their recyclability and reusability, in the hydration of alkynes in aqueous medium
Fernandez, Gabriela A.; Chopa, Alicia B.; Silbestri, Gustavo F., Catalysis Science & Technology, 2016, 6(6), 1921-1929
合成路线:1 步
反应条件:
参考文献:
Aluminum oxide catalyzed isomerization of acylated cycloalkenes
Hudlicky, T.; Srnak, T., Tetrahedron Letters, 1981, 22(35), 3351-4
合成路线:1 步
反应条件:
参考文献:
Rearrangement of 2-cycloalken-1-ones to 1-cycloalkenyl methyl ketones
Helwig, Reinhard; Hanack, Michael, Justus Liebigs Annalen der Chemie, 1977, (4), 614-23
合成路线:1 步
反应条件:
参考文献:
Deep eutectic solvent-catalyzed Meyer-Schuster rearrangement of propargylic alcohols under mild and bench reaction conditions
Rios-Lombardia, Nicolas; Cicco, Luciana; Yamamoto, Kota; Hernandez-Fernandez, Jose A.; Moris, Francisco; et al, Chemical Communications (Cambridge, 2020, 56(96), 15165-15168
合成路线:1 步
反应条件:
参考文献:
Hydration of aromatic terminal alkynes catalyzed by sulfonated condensed polynuclear aromatic (S-COPNA) resin in water
Tanemura, Kiyoshi; Suzuki, Tsuneo, Tetrahedron Letters, 2017, 58(10), 955-958
合成路线:1 步
反应条件:
参考文献:
Ligand Effects in the Gold Catalyzed Hydration of Alkynes
Ebule, Rene E.; Malhotra, Deepika; Hammond, Gerald B.; Xu, Bo, Advanced Synthesis & Catalysis, 2016, 358(9), 1478-1481
合成路线:1 步
反应条件:
参考文献:
Efficient hydration of alkynes through acid-assisted Bronsted acid catalysis
Liang, Shengzong; Hammond, Gerald B.; Xu, Bo, Chemical Communications (Cambridge, 2015, 51(5), 903-906
合成路线:1 步
反应条件:
参考文献:
Hydration of alkynes at room temperature catalyzed by gold(I) isocyanide compounds
Xu, Yun; Hu, Xingbang; Shao, Jing; Yang, Guoqiang; Wu, Youting; et al, Green Chemistry, 2015, 17(1), 532-537
合成路线:1 步
反应条件:
参考文献:
Novel rhenium(I) catalysts for the isomerization of propargylic alcohols into α,β-unsaturated carbonyl compounds: an unprecedented recyclable catalytic system in ionic liquids
Garcia-Alvarez, Joaquin; Diez, Josefina; Gimeno, Jose; Seifried, Christine M., Chemical Communications (Cambridge, 2011, 47(22), 6470-6472
合成路线:1 步
反应条件:
参考文献:
Heterogeneously Catalyzed Efficient Hydration of Alkynes to Ketones by Tin-Tungsten Mixed Oxides
Jin, Xiongjie; Oishi, Takamichi; Yamaguchi, Kazuya; Mizuno, Noritaka, Chemistry - A European Journal, 2011, 17(4), 1261-1267
合成路线:1 步
反应条件:
参考文献:
Au(I) complexes as the efficient catalyst for hydration of alkynes at room temperature
Wu, Gongde; Wang, Xiaoli; Zhang, Liming; Jiang, Taineng, Gaodeng Xuexiao Huaxue Xuebao, 2015, 36(12), 2461-2467
合成路线:1 步
反应条件:
参考文献:
Hydration of Alkynes by a PtCl4-CO Catalyst
Baidossi, Waeel; Lahav, Michal; Blum, Jochanan, Journal of Organic Chemistry, 1997, 62(3), 669-672
合成路线:1 步
反应条件:
参考文献:
Hydration of terminal alkynes catalyzed by cobalt corrole complex
Lai, Jia-Wei; Liu, Zhao-Yang; Chen, Xiao-Yan; Zhang, Hao; Liu, Hai-Yang, Tetrahedron Letters, 2020, 61(43),
合成路线:1 步
反应条件:
参考文献:
TFA-mediated alkyne hydration reaction to synthesize methyl ketones
Chen, Z. W.; Luo, M. T.; Ye, D. N., Asian Journal of Chemistry, 2014, 26(19), 6528-6530
合成路线:1 步
反应条件:
参考文献:
Hydration of alkynes in anhydrous medium with formic acid as water donor
Menashe, Naim; Shvo, Youval, Journal of Organic Chemistry, 1993, 58(26), 7434-9
合成路线:1 步
反应条件:
参考文献:
An investigation of the behavior of α,β-unsaturated sulfoxides in the presence of trimethylsilyl iodide
Aversa, Maria C.; Barattucci, Anna; Bonaccorsi, Paola; Giannetto, Placido, Tetrahedron, 2002, 58(51), 10145-10150
合成路线:1 步
反应条件:
参考文献:
Facile approach to versatile chiral intermediates for fused cyclopentanoid natural products
Zulfiquar, Fazila; Malik, Abdul, Zeitschrift fuer Naturforschung, 2001, 56(11), 1227-1234
合成路线:1 步
反应条件:
参考文献:
Phenol-catalyzed Claisen orthoester rearrangement of allylic alcohols with trimethyl β-(methoxy)orthopropionate
Iqbal, Fazila; Ateeq, Humayun S.; Malik, Abdul; Ali, Zeeshan; Ali, Zulfiqar, Zeitschrift fuer Naturforschung, 1998, 53(10), 1244-1245
合成路线:1 步
反应条件:
参考文献:
"Release and catch" effect of perfluoroalkylsulfonylimide-functionalized imidazole/pyridine on Bronsted acids in organic systems
Ma, Zhong-Hua; You, Li; Ren, Xiao-Fei; Wang, Yun; Gu, Yanlong; et al, ChemCatChem, 2016, 8(21), 3394-3401
合成路线:1 步
反应条件:
参考文献:
Synthetic uses of tosylmethyl isocyanide (TosMIC)
Van Leusen, Daan; Van Leusen, Albert M., Organic Reactions (Hoboken, 2001, 57,

1-乙酰环己烯(932-66-1)上下游

1-乙酰环己烯(932-66-1)相关文献

1-乙酰环己烯(932-66-1) MSDS

基础信息

Name:1-Acetyl-1-cyclohexene 97% Material Safety Data Sheet
Synonym:None
CAS:932-66-1
Section 1 - Chemical Product ? MSDS Name:1-Acetyl-1-cyclohexene 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
932-66-11-Acetyl-1-cyclohexene97213-256-5
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. No information available.
The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
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.
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. Combustible liquid and vapor.
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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Keep away from heat and flame.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 932-66-1: 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 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 very slight yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 201 - 202 deg C @ 760.00mm Hg
Freezing/Melting Point: 73 deg C
Autoignition Temperature: Not available.
Flash Point: 65 deg C ( 149.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9660g/cm3
Molecular Formula: C6H9COCH3
Molecular Weight: 124.18

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 932-66-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Acetyl-1-cyclohexene - 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# 932-66-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 932-66-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 932-66-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A