异佛尔酮
异佛尔酮用途
异佛尔酮名称
[ CAS 号 ]:
78-59-1
[ 中文名 ]:
异佛尔酮
[ 英文名 ]:
Isophorone
[中文别名 ]:
[英文别名 ]:
- Isooctopherone
- Izoforon
- 3,5,5-trimethylcyclohex-2-en-1-one
- 3,5,5-trimethyl-cyclohex-2-en-1-one
- 3,5,5-Trimethyl-2-cyclohexen-1-one
- ISOPHORONE
- Isoacetophorone
- 3,3,5-trimethyl-cyclohex-5-en-1-one
- Isoforone
- 3,5,5-trimethyl-2-cyclohexenone
异佛尔酮生物活性
[ 描述 ]:
[ 相关类别 ]:
[体外研究]
[参考文献]
异佛尔酮物理化学性质
[ 密度 ]:
0.9±0.1 g/cm3
[ 沸点 ]:
215.2±0.0 °C at 760 mmHg
[ 熔点 ]:
−8 °C(lit.)
[ 分子式 ]:
C9H14O
[ 分子量 ]:
138.207
[ 闪点 ]:
84.4±0.0 °C
[ 精确质量 ]:
138.104462
[ PSA ]:
17.07000
[ LogP ]:
2.07
[ 外观性状 ]:
淡黄色液体
[ 蒸汽密度 ]:
4.77 (vs air)
[ 蒸汽压 ]:
0.2±0.4 mmHg at 25°C
[ 折射率 ]:
1.455
[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开储运存放
[ 稳定性 ]:
Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.
异佛尔酮MSDS
异佛尔酮毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GW7700000
- CHEMICAL NAME :
- 2-Cyclohexen-1-one, 3,5,5-trimethyl-
- CAS REGISTRY NUMBER :
- 78-59-1
- BEILSTEIN REFERENCE NO. :
- 1280721
- LAST UPDATED :
- 199807
- DATA ITEMS CITED :
- 65
- MOLECULAR FORMULA :
- C9-H14-O
- MOLECULAR WEIGHT :
- 138.23
- WISWESSER LINE NOTATION :
- L6V BUTJ C1 D1 D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - guinea pig
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 25 ppm
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1870 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1840 ppm/4H
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2690 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3500 mg/kg/6H
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - acute pulmonary edema
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >10 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Cardiac - pulse rate Lungs, Thorax, or Respiration - respiratory stimulation
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1420 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 4600 ppm/8H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 24 gm/kg/16D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 65 gm/kg/13W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 ppm/8H/6W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - changes in both tubules and glomeruli Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 ppm/8H/6W-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 208 mg/m3/6H/4W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 24 gm/kg/16D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 65 gm/kg/13W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 500 ppm/8H/6W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - changes in both tubules and glomeruli Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 500 ppm/8H/6W-I
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in other cell count (unspecified)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 180 gm/kg/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 258 gm/kg/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-291,1986 *** REVIEWS *** ACGIH TLV-Animal carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-CL 28 mg/m3 (5 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 25 ppm (140 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,140,1971 OSHA PEL (Gen Indu):8H TWA 25 ppm (140 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 25 ppm (140 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 25 ppm (140 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 25 ppm (140 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 ppm (25 mg/m3) JAN 1993 OEL-BELGIUM:STEL 5 ppm (28 mg/m3) JAN 1993 OEL-DENMARK:STEL 5 ppm (25 mg/m3) JAN 1993 OEL-FINLAND:TWA 5 ppm (28 mg/m3);STEL 10 ppm (56 mg/m3) JAN 1993 OEL-FRANCE:STEL 5 ppm (25 mg/m3) JAN 1993 OEL-GERMANY:TWA 5 ppm (28 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 5 ppm (25 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 25 ppm (140 mg/m3) JAN 1993 OEL-POLAND:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 OEL-SWEDEN:STEL 5 ppm (30 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (28 mg/m3) JAN 1993 OEL-TURKEY:TWA 25 ppm (149 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 5 ppm (25 mg/m3);STEL 5 ppm (25 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ISOPHORONE-air:10H TWA 4 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 40910 No. of Facilities: 2934 (estimated) No. of Industries: 44 No. of Occupations: 40 No. of Employees: 26825 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 40910 No. of Facilities: 3593 (estimated) No. of Industries: 43 No. of Occupations: 47 No. of Employees: 47097 (estimated) No. of Female Employees: 10353 (estimated)
异佛尔酮安全信息
[ 符号 ]:
GHS07, GHS08
[ 信号词 ]:
Warning
[ 危害声明 ]:
H302 + H312-H319-H335-H351
[ 警示性声明 ]:
P280-P301 + P312 + P330-P302 + P352 + P312-P305 + P351 + P338
[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ 危害码 (欧洲) ]:
Xn:Harmful
[ 风险声明 (欧洲) ]:
R21/22;R36/37;R40
[ 安全声明 (欧洲) ]:
S13-S23-S36/37/39-S46
[ 危险品运输编码 ]:
2810.0
[ WGK德国 ]:
1
[ RTECS号 ]:
GW7700000
[ 危险类别 ]:
6.1
[ 海关编码 ]:
2914190090
异佛尔酮合成路线
异佛尔酮上下游产品
异佛尔酮上游产品
异佛尔酮下游产品
异佛尔酮制备
1.由3分子丙酮聚合而得。
2.异亚丙基丙酮法 用异亚丙基丙酮和乙酰乙酸乙酯在催化剂作用下，经环化、水解制得异佛尔酮。此工艺路线的优点是在常压和较低温度下进行，因此，它条件温和，操作简单，设备投资少。缺点是由于原料价格较高，产品成本高，难于推广应用，故该法现已淘汰。
丙酮缩合法 在碱性催化剂、高温条件下，三分子丙酮缩合生成一分子异佛尔酮：
丙酮合成异佛尔酮的方法按接触状态可分为两种，一种是固体催化剂的多相催化缩合法，另一种是在碱性溶液中加压液相缩合法。
①固体催化剂多相催化缩合法 在催化剂(铝酸镁、氧化锌氧化铋、氧化钙氢氧化钙、硅藻土制成的阴离子型催化剂等)的作用下，丙酮在300℃左右条件下缩合制异佛尔酮。
②液相缩合法 该法从操作上分有间歇和连续两种方法，连续法有利于降低成本，提高产量。易实现自动化控制，改善劳动条件，目前国外多采用连续法。异佛尔酮的连续液相缩合法工艺流程如下：
将一定量的丙酮、水、催化剂加入反应釜中，反应温度控制在150～300℃，压力3.0～3.5MPa，时间1.5～2h。反应结束后，将物料加入1#蒸馏塔常压蒸馏，蒸出未反应的丙酮、水，冷凝后返回反应釜继续参加反应。然后将物料放入分层器分相，分出下层碱液待处理，上层加入2#蒸馏塔，蒸出的二丙酮醇、异亚丙基丙酮可作产品出售，亦可返回反应釜继续参与反应。该条件下得到的异佛尔酮总收率为60%～70%，二丙酮醇产率16%，异亚丙基丙酮产率为7%，高沸物含量约为3%～7%，丙酮转化率为30%～40%。
精制方法异佛尔酮是由丙酮缩合得到的，含有未反应的丙酮、双丙酮醇、异亚丙基丙酮等杂质。一般用减压蒸馏精制。或在粗异佛尔酮中加入0.05%~0.1%对甲苯磺酸进行减压蒸馏。也有用5%碳酸钠水溶液洗涤后减压蒸馏精制。
3. 烟草：BU，56；BU，14；FC，9， 18， 40；BU，OR，18。
异佛尔酮海关
[ 海关编码 ]: 2914299000
[ 中文概述 ]:
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%
异佛尔酮文献
Anal. Chem. 87 , 6335-41, (2015)
This paper describes the design and fabrication of a polyjet-based three-dimensional (3D)-printed fluidic device where poly(dimethylsiloxane) (PDMS) or polystyrene (PS) were used to coat the sides of ...
Non-targeted multi-component analytical surveillance of plastic food contact materials: Identification of substances not included in EU positive lists and their risk assessment.Food Addit. Contam. 22(10) , 1012-22, (2005)
A procedure used by the Norwegian Food Safety Authority for surveillance of contaminants from plastic food contact materials (polyolefin drinking bottles, water boilers, polyamide cooking utensils and...
The synthesis and spectral properties of a stimuli-responsive D-π-A charge transfer dye.Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 78(1) , 234-7, (2011)
A new donor-π-acceptor (D-π-A) type isophorone dye was synthesized by the condensation reaction between 2-(3,5,5-trimethylcyclohex-2-enylidene)-malononitrile and indole-3-carboxaldehyde. The chemical ...
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相关化合物
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