Isophorone 异佛尔酮

CAS 78-59-1 MFCD00001584

化学结构图

78-59-1
SMILES: CC1=CC(=O)CC(C)(C)C1

化学属性

Mol. FormulaC9H14O
Mol. Weight138.21
Refractive index1.4760 to 1.4790
Autoignition Point864 °F
Vapor Density4.77 (vs air)
Boiling Point213-214 °C at 760 mmHg
Vapor Pressure0.2 mmHg ( 20 °C)
Density0.923
Melting Point-8 °C
Flash Point84.44°C
TSCAYes
Stability对光敏感
Solubility微溶于水,易溶于多数有机溶剂。

别名和识别编码

Chemical NameIsophorone
Synonym Isophorone {LY} Isophorone {} {LY} Isophorone {} {} {LY} Isophorone {} {} {} {LY} Isophorone {} {} {} {} {LY} Isophorone {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophorone {} {} {} {} {} {} {} {} {
MDL NumberMFCD00001584
CAS Number78-59-1
Beilstein Registry Number7,65
PubChem Substance ID87571538
EC Number201-126-0
Merck Number5196
Reaxys-RN1280721
Chemical Name Translation异佛尔酮
Wiswesser Line NotationL6V BUTJ C1 D1 D1
LabNetwork Molecule IDLN00220510
Canonical SMILESO=C1C=C(C)CC(C)(C)C1
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分类

  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, H-J, I-L
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-L

产品应用

  • 有机溶剂。

相关文献及参考

  • Short: IV/15A
  • Merck: 14,5196 Beilstein:7,65
  • Merck: 14,5196
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
  • H302+H312
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGW7700000
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P304+P340+P312
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P403+P233
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P370+P378
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P305+P351+P338+P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P302+P352+P312+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P308+P313
Signal word
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Safety Statements
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时,立即求医并出示容器/标签;
  • S13 Keep away from food, drink and animal foodstuffs 远离食品、饮料和动物饲料保存;
  • S2 Keep out of the reach of children 避免儿童触及;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
Hazard Codes
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII
UN Number
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
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 39,207,1986

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
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571092

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
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0535380

TYPE OF TEST            : LCLo - Lowest

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
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0535380

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
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 28,262,1946

{

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
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 0

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1250 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 369,243,1996

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 400 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   12,85,1988

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 315,147,1994

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 gm/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-291,1986

其他信息

  • 用途一:是油脂、树胶、树脂等的优良溶剂,特别适用于乙烯基树脂。
  • 毒性分级:中毒
  • 用途二:该品为高沸点溶剂。主要用于农药、涂料和罐头涂层等方面。
  • Acros Organics:异佛尔酮 Isophorone, 98%(78-59-1)
  • 下游产品:异佛尔酮二异氰酸酯
  • 类别:易燃液体
  • Sigma Aldrich:78-59-1(sigmaaldrich)
  • 职业标准:TLV-TWA 28 毫克/立方米; STEL 56 毫克/立方米
  • 爆炸物危险特性:与空气混合形成爆炸性混合物
  • FEMA:3553
  • 图谱信息:异佛尔酮(78-59-1)核磁图( 1 HNMR) 异佛尔酮(78-59-1)红外图谱(IR1) 异佛尔酮(78-59-1)质谱(MS) 异佛尔酮(78-59-1)红外图谱(IR2) 异佛尔酮(78-59-1)核磁图( 13 CNMR) 异佛尔酮(78-59-1)Raman光谱
  • TCI Shanghai:异佛尔酮 Isophorone,>;97.0%(GC)(78-59-1)
  • 异佛尔酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30200481 异佛尔酮;异福尔酮;1,1,3-三甲基-3-环己烯-5-酮;3,5,5-三甲基-2-环己烯-1-酮 500ml 60元 2011/08/23 30200483 异佛尔酮;异福尔酮;1,1,3-三甲基-3-环己烯-5-酮;3,5,5-三甲基-2-环己烯-1-酮 250ml 118元 2011/04/16 I0151 异佛尔酮 Isophorone 25ML 117元
  • 可燃性危险特性:易燃; 火场释放辛辣刺激烟雾
  • 蒸气压:0.2 mm Hg ( 20 °C)
  • MOL 文件:78-59-1.mol
  • 外观性质:水白色液体,带有薄荷香味。
  • MSDS 信息:异佛尔酮(78-59-1).msds
  • 上游原料:丙酮
  • 有樟脑样气味。露光变成二聚物,在空气中氧化生成4,4,6-三甲基-1,环己二酮。溶于醇、乙醚和丙酮,能与多数有机溶剂混溶,水中溶解度:12 g/L (20°C)。有致癌可能性。有催泪性的刺激性。
  • 急性毒性:口服-大鼠 LD50: 1870 毫克/公斤; 口服-小鼠 LD50: 2690 毫克/公斤
  • 刺激数据:皮肤-兔 100 毫克/24小时 轻度; 眼睛-兔 100 毫克/24小时 中度
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 方法一:由3分子丙酮聚合而得。
  • 蒸气密度:4.77 (vs air)
  • Alfa Aesar:异佛乐酮,97% Isophorone, 97%(78-59-1)
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运存放
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 异佛尔酮 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量

系列性分类


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