Methyl Cyclopentenolone 甲基环戊烯醇酮

CAS 80-71-7 MFCD00013747

化学结构图

80-71-7
SMILES: CC1CCC(=O)C=1O

化学属性

Mol. FormulaC6H8O2
Mol. Weight112.13
Melting Point104-108°C
Appearance 白色结晶性粉末。具有槭树和独活草似香气。在稀释溶液里呈槭糖-甘草风味。熔点105～107℃。溶于乙醇、丙酮和丙二醇，微溶于大多数非挥发性油，l g溶于72ml水，易溶于沸水。 天然品存在于胡卢巴中。
Boiling Point245.2°C at 760 mmHg
Flash Point178.7°C

别名和识别编码

Chemical NameMethyl Cyclopentenolone
Synonym 2-Hydroxy-3-methylcyclopent-2-enone {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-enone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methylcyclopent-2-en
MDL NumberMFCD00013747
CAS Number80-71-7
EC Number201-303-2
Beilstein Registry Number7(1)310
Reaxys-RN2076520
PubChem Substance ID87570866
Chemical Name Translation甲基环戊烯醇酮
InChIKeyCFAKWWQIUFSQFU-UHFFFAOYSA-N
Wiswesser Line NotationL5V BUTJ BQ C1
LabNetwork Molecule IDLN00235828
Canonical SMILESCC(CC1)=C(O)C1=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products,

安全信息

RTECSGY7298000
Signal word Danger
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P342+P311
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P304+P340+P312
  • 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。
  • P337+P313
  • 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。
GHS Symbol
WGK Germany2
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,809,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,809,1976

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,809,1976

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 169,129,1986

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:2-羟基-3-甲基-2-环戊烯酮 2-Hydroxy-3-methyl-2-cyclopentenone,>;98.0%(T)(80-71-7)
  • 海关编码:29144090
  • 参考质量标准:FCC，1996；FAO/WHO，1998 熔程 104~108℃ 重金属(以Pb计；GT-16-2,试样500 mg) ≤0.004% 醇中溶解度 1g溶于5mI。90%乙醇
  • 方法一:生物合成法。 由甲基环戊酮卤化后水解而成。
  • FEMA:2700
  • 检测方法:HPLC.NMR
  • 使用限量:FEMA(mg/kg)：软饮料11；冷饮5.6；糖果18；焙烤食品13；布丁类14；胶姆糖8.0～15；糖浆10。 适度为限(FDA§172．515，2000)。
  • 用途一:用作香味和甜味增效剂
  • MSDS 信息:Methyl cyclopentenolone(80-71-7).msds
  • 毒性:GRAS(FEMA)。 LD 50 1400 mg/kg(鸽子，经口)。
  • 上游原料:二甲胺 --> 环戊酮 --> 2-甲基呋喃 --> 甲基环戊烯醇酮
  • 用途三:我国GB2760-86规定为允许使用的食用香料。主要用以配制槭、熏烟、奶油硬糖、和杏子等型香精。
  • 方法二:由甲基呋喃与二甲胺制得。
  • MOL 文件:80-71-7.mol
  • 甲基环戊烯醇酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0469 2-羟基-3-甲基-2-环戊烯酮 2-Hydroxy-3-methyl-2-cyclopentenone 25G 407元
  • 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） 甲基环戊烯醇酮 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
  • 用途二:GB 2760—1996规定为允许使用的食用香料。主要用以配制槭、熏烟、奶油硬糖和杏子等型香精。

系列性分类

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