Piperonyl Aldehyde 胡椒醛

CAS 120-57-0 MFCD00005828

化学结构图

120-57-0
SMILES: O=Cc1ccc2c(c1)OCO2

化学属性

Mol. FormulaC8H6O3
Mol. Weight150.14
Boiling Point262-264°
Melting Point35-37°
Flash Point121°(249°F)
TSCAYes
Vapor Pressure1 mmHg ( 87 °C)
Solubility略溶于水
Appearance 白色或黄白色闪光结晶,在空气中露光后呈红棕色。呈甜的香草和樱桃似香气。熔点37℃,沸点264℃。极易溶于乙醇和乙醚,溶于丙二醇和大多数非挥发性油,微溶于矿物油,不溶于甘油和水。 天然品少量存在于笃斯越橘、甜瓜、香胡椒、鸡、雪莉酒、刺槐属等花油和香荚兰豆等中。

别名和识别编码

Chemical NamePiperonyl Aldehyde
CAS Number120-57-0
Synonym FEMA 2911 HELIOTROPINE Piperonylaldehyde PROTOCATECHUIC ALDEHYDE METHYLENE ETHER 3,4-(Methylendioxy)-benzaldehyd 3,4 胡椒醛 3,4-亞甲二氧苯醛 3,4-Methylene-dioxybenzaldehyde 1,3-Benzodioxole-5-carboxaldehyde 5-Formyl-1,3-benzodioxolane 洋茉莉醛 benzo(1,3)dioxole-5-carbaldehyde ######## 3,4-methylenedihydroxybenzaldehyde Piperoin Piperonal LABOTEST-BB LT00933538 3,4-亚甲基二氧苯甲醛 胡椒醛(0311限出口) Heliotropin 3,4-dihydroxybenzaldehydemethyleneketal HELIOTHROPINE 3,4-Bis(methylenedioxy)benzaldehyde 3,4-(Methylenedioxy)benzaldehyde 3,4-(Methy 3,4-亚甲二氧苯甲醛 {uni_hambu 5-Formyl-1,3-benzodioxole 1,3-BENZODIOXOLE-5-CARBOXALDEHYDE 3, 3,4-(methylenedioxy)-benzaldehyd {u 向日葵醛 3,4-Methylenedioxybenzaldehyde 3,4-Methylene-dihydroxybenzaldehyde Piperonyl aldehyde {uni_hambur 3,4-Methylenedioxybenzaldehy Dioxymethylene-protocatechuic aldehyde 5-Formylbenzodioxole 3,4-(亚甲二氧基)苯甲醛 HELIOTROPIN Protocatechuic aldehyde methylene ether 3,4-methylenedioxy benzaldehyde PIPERONAL 3,4-二氧亚甲基苯甲醛 3,4-Dimethylenedioxybenzaldehyde Piperonaldehyde PIPERONYL ALDEHYDE 氧化胡椒醛 3,4-Me 3,4-dimethylenedioxybenzaldehyde 1,3-Benzodioxole-5-carbaldehyde Benzaldehyde, 3,4-(methylenedioxy)- 1,3-benzod piperonale {Chemicalbo Heliotropine
PubChem Substance ID24887359
EC Number204-409-7
Beilstein Registry Number131691
MDL NumberMFCD00005828
Merck Number14,7475
Chemical Name Translation胡椒醛
Wiswesser Line NotationT56 BO DO CHJ GVH
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分类

  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • Piperonal is an impurity of Tadalafil (T004500). Tadalafil impurity A.

相关文献及参考

  • Merck 14 ,7475
  • Beil. 19 ,V,4,225
  • Arctander , 1484 / FT-IR 1 (2), 119:A / FT-IR 2 (2), 2542:B / FT-NMR 1 (2), 956:B / Fenaroli , 680 / IR-Spectra (3), 919:A / IR-Spectra (2), 804:F / NMR-Reference 2 (2), 117:A / RegBook 84 (2), 1723:N / RegBook 1 (2), 1723:N / Sax 6 , 2241 / Structure Index 1 , 274:A:4 / Vapor Phase 3 , 1299:D
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSTO1575000
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • 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;
Risk Statements
  • R52/53
  • R38 Irritating to skin 刺激皮肤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition Air & Light Sensitive Dark Room
Restrict 易制毒 {} 易制毒化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   RMSRA6 Revue Medicale de la Suisse Romande.  (Societe Medicale de La Suisse
   Romande, 2 rue Bellefontaine, 1003 Lausanne, Switzerland)  V.1-    1881-
   Volume(issue)/page/year: 16,449,1896

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 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 Scientifi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2700 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Behavioral - ataxia
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   6,378,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 43,370,1954

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Bird - chicken Embryo
DOSE/DURATION           : 2 mg
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 20,254,1986

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 120 ug/L
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 20,254,1986

其他信息

  • 胡椒醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 131341000 胡椒醛 Piperonal 99% 100 GR 301元 2010/06/21 131345000 胡椒醛 Piperonal 99% 500 GR 1132元 2010/06/21 131340050 胡椒醛 Piperonal 99% 5 GR 222元
  • 所属类别一:食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • 下游产品:1-胡椒基哌嗪 --> 黄莲素 --> 亚胡椒基乙酰氯 --> 3,4-(亚甲二氧)肉桂酸 --> 6-硝基胡椒醛 --> 胡椒酸
  • {Chemica
  • 用途一:用于配制花香型和幻想型香精,也用于电镀
  • 用途五:有机合成,制造香料,电镀光亮剂,农药增效剂。 广泛用于医药上,以及配制花香型和幻想型香精。
  • 方法一:以邻苯二酚为原料合成 先在高压釜中加入6.42g(0.02mo1)溴化四丁铵、100mL二氯甲烷(1.56mo1)和200mL水,然后慢慢加入15g(0.1362mo1)邻苯二酚和15.9g(0.3975mo1)氢氧化钠。反应温度保持在70℃,压力最大不超过0.25MPa。反应完成后分出有机相,回收过量的二氯甲烷后蒸馏得到13.8g邻苯二酚亚甲醚,收率为83%。 将103g聚甲醛溶解于1L的浓盐酸中,随后加入535g
  • {Chem
  • 用途三:GB 2760—96规定为暂时允许使用的食用香料。主要用以配制香草、樱桃、桃、梅、草莓、可乐、酒和烟草等型香精。
  • {Ch
  • 用途四:该品具有类似香水草花(俗称葵花,洋茉莉)的香气,主要用于葵花、百合、紫罗兰等多种花香型和幻想型化妆品香精中,在食品、烟草中变有应用。天芥菜精还和合成法黄连素的中间体。也用作农药增效剂和电镀添加剂。
  • 含量分析:按醛测定法(OT-6)测定。所取试样量为1.5g。计算中的当量因子(e)取75.06。 或按气相色谱法(GT-10-4)中用非极性柱方法分析。
  • Sigma Aldrich:120-57-0(sigmaaldrich)
  • Alfa Aesa
  • 上游原料:三氯甲烷 --> 多聚甲醛 --> 乌洛托品 --> 重铬酸钠 --> 重铬酸钾 --> 邻苯二酚 --> 浓盐酸 --> 四丁基溴化铵 --> 对氨基苯磺酸 --> 1,2-亚甲二氧基苯 --> 氢氧化钾-乙醇 --> 黄樟素 --> 异黄樟素 --> 黄樟油 --> 胡椒基氯化物
  • 蒸气压:1 mm Hg ( 87 °C)
  • 参考质量标准二:QB 1788—1993 色状 白色晶体 香气 似香水草花香气 醇中溶解度 1g溶于4mL 95%乙醇中 含量/% ≥99.0 凝固点/℃ ≥35
  • {C
  • 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) 洋茉莉醛 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:洋茉莉醛是我国《食品添加剂使用卫生标准》规定暂时允许使用的食品香料,主要用于配制香草、桃、梅、草莓、樱桃等食用香精,用于可乐、酒和烟草等。在口香糖中使用量为36mg/kg;烘烤食品中18mg/kg;糖果中7.4mg/kg;冷饮中7.0mg/kg;软饮料中6.0mg/kg;布丁类中5.8mg/kg。
  • 所属类别二:食品添加剂: 食品香料
  • 参考质量标准一:QB 1788—93(强制性标准)@FCC,1996 含醛量 ≥99.0% ≥99.0% 凝固点 ≥35℃ ≥35℃醇中溶解度(OT-43) 1g溶于4mL 95%乙醇中 1g溶于4mL 70%乙醇 色状 白色晶体 - 香气 似香水草花香气 - 重金属(GT-16-2) ≤0.04% - 铅(GT-8) ≤10 mg/kg
  • 图谱信息:胡椒醛(120-57-0)质谱(MS) 胡椒醛(120-57-0)红外图谱(IR1) 胡椒醛(120-57-0)红外图谱(IR2)

系列性分类