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3,4-二羟基肉桂酸 | 501-16-6

3,4-二羟基肉桂酸结构式图片|501-16-6结构式图片
3,4-二羟基肉桂酸
Trans-caffeic acid
501-16-6
C9H8O4
180.15742
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3,4-二羟基肉桂酸结构式
329757759
名称和标识符
MDL MFCD00004392
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Inchi InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
SMILES C1=CC(=C(C=C1/C=C/C(=O)O)O)O
别名信息
- 中文别名 -
  • 3,4-二羟基肉桂酸(咖啡酸)
  • Trans-咖啡酸
  • (2E)-3-(3,4-二羟基苯基)丙烯酸
  • 反式阿魏酸
  • 3,4-二羟基肉桂酸
- 英文别名 -
  • 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-
  • Trans-caffeic acid
  • CAFFEIC ACID
  • trans-3,4-Dihydroxycinnamic acid
  • Caffeic acid pure
  • Caffeic acid pure
  • SCHEMBL23358
  • SCHEMBL23358
  • DTXSID5020231
  • SCHEMBL23358
  • DTXSID5020231
  • C 0625
  • DTXSID5020231
  • C 0625
  • NCGC00263641-01
  • C 0625
  • NCGC00263641-01
  • SR-01000000203-8
  • NCGC00263641-01
  • SR-01000000203-8
  • s2277
  • SR-01000000203-8
  • s2277
  • AS-10895
  • s2277
  • NCGC00017364-05
  • AS-10895
  • AS-10895
  • NCGC00017364-05
  • NCGC00017364-05
  • NCGC00017364-10
  • NCGC00017364-10
  • NCGC00017364-10
  • C-1500
  • C-1500
  • C-1500
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)
  • Caffeicacid
  • Caffeicacid
  • Caffeicacid
  • AB00490047
  • AB00490047
  • AB00490047
  • NSC 57197
  • NSC 57197
  • NSC 57197
  • BP-30112
  • BP-30112
  • BP-30112
  • AI3-63211
  • AI3-63211
  • AI3-63211
  • SDCCGSBI-0050196.P004
  • SDCCGSBI-0050196.P004
  • SDCCGSBI-0050196.P004
  • Tox21_200648
  • Tox21_200648
  • Tox21_200648
  • MLS000069738
  • MLS000069738
  • MLS000069738
  • Caffeic Acid1507
  • Caffeic Acid1507
  • Caffeic Acid1507
  • CS-8205
  • CS-8205
  • CS-8205
  • EINECS 206-361-2
  • EINECS 206-361-2
  • EINECS 206-361-2
  • NSC623438
  • NSC623438
  • NSC623438
  • CCRIS 847
  • CCRIS 847
  • CCRIS 847
  • trans-3,4-Dihydroxycinnamic Acid
  • trans-3,4-Dihydroxycinnamic Acid
  • trans-3,4-Dihydroxycinnamic Acid
  • CAFFEIC ACID [INCI]
  • CAFFEIC ACID [INCI]
  • CAFFEIC ACID [INCI]
  • Caffeate
  • Caffeate
  • Caffeate
  • HMS3260J17
  • HMS3260J17
  • HMS3260J17
  • NCGC00017364-07
  • NCGC00017364-07
  • NCGC00017364-07
  • Caffeic acid, trans-
  • Caffeic acid, trans-
  • Caffeic acid, trans-
  • MLS001076493
  • MLS001076493
  • MLS001076493
  • 2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-
  • 2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-
  • Opera_ID_1700
  • Opera_ID_1700
  • 2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-
  • DTXSID901316055
  • DTXSID901316055
  • Opera_ID_1700
  • Tox21_500208
  • Tox21_500208
  • DTXSID901316055
  • Trans 3,4-Dihydroxycinnamic acid
  • Trans 3,4-Dihydroxycinnamic acid
  • Tox21_500208
  • 3,4-Dihydroxycinnamic acid
  • 3,4-Dihydroxycinnamic acid
  • Trans 3,4-Dihydroxycinnamic acid
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-
  • 3,4-Dihydroxycinnamic acid
  • MFCD00004392
  • MFCD00004392
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-
  • C01481
  • C01481
  • MFCD00004392
  • NCGC00022654-08
  • NCGC00022654-08
  • C01481
  • NCGC00017364-04
  • NCGC00017364-04
  • NCGC00022654-08
  • CAFFEIC ACID [HSDB]
  • CAFFEIC ACID [HSDB]
  • NCGC00017364-04
  • 4-(2'Carboxyvinyl)-1,2-dihydroxybenzene
  • 4-(2'Carboxyvinyl)-1,2-dihydroxybenzene
  • CAFFEIC ACID [HSDB]
  • CHEBI:16433
  • CHEBI:16433
  • 4-(2'Carboxyvinyl)-1,2-dihydroxybenzene
  • NSC57197
  • NSC57197
  • CHEBI:16433
  • CS-0081280
  • CS-0081280
  • NSC57197
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]
  • CS-0081280
  • CAFFEIC ACID [MI]
  • CAFFEIC ACID [MI]
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • CAFFEIC ACID [MI]
  • MLS006011849
  • MLS006011849
  • 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • MLS006011849
  • A851723
  • A851723
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • caffeic acid
  • caffeic acid
  • A851723
  • BDBM4375
  • caffeic acid
  • BDBM4375
  • SR-01000000203
  • BDBM4375
  • SR-01000000203
  • CAFFEIC ACID [WHO-DD]
  • SR-01000000203
  • CAFFEIC ACID [WHO-DD]
  • AC-8006
  • CAFFEIC ACID [WHO-DD]
  • AC-8006
  • Z240113804
  • AC-8006
  • Z240113804
  • NCGC00017364-13
  • Z240113804
  • NCGC00017364-13
  • NCGC00017364-12
  • NCGC00017364-13
  • NCGC00017364-12
  • 3,4-Dihydroxybenzeneacrylic acid
  • NCGC00017364-12
  • 3,4-Dihydroxybenzeneacrylic acid
  • Caffeic acid 1000 microg/mL in Acetone
  • 3,4-Dihydroxybenzeneacrylic acid
  • Caffeic acid 1000 microg/mL in Acetone
  • NCGC00022654-05
  • Caffeic acid 1000 microg/mL in Acetone
  • NCGC00022654-05
  • 501-16-6
  • NCGC00022654-05
  • 501-16-6
  • CHEMBL145
  • 501-16-6
  • CHEMBL145
  • CHEMBL145
  • CAFFEIC ACID (IARC)
  • CAFFEIC ACID (IARC)
  • CAFFEIC ACID (IARC)
  • SR-01000000203-13
  • SR-01000000203-13
  • SR-01000000203-13
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH)
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH)
  • CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH)
  • NCGC00022654-04
  • NCGC00022654-04
  • NCGC00022654-04
  • Caffeic acid - Natural
  • Caffeic acid - Natural
  • Caffeic acid - Natural
  • 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
  • 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
  • 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
  • AMY3943
  • AMY3943
  • AMY3943
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid
  • 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
  • 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
  • 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
  • DB01880
  • DB01880
  • DB01880
  • BRD-K09900591-001-06-9
  • BRD-K09900591-001-06-9
  • BRD-K09900591-001-06-9
  • 331-89-5
  • 331-89-5
  • 331-89-5
  • Cinnamic acid, 3,4-dihydroxy-
  • Cinnamic acid, 3,4-dihydroxy-
  • Cinnamic acid, 3,4-dihydroxy-
  • trans-Caffeate
  • trans-Caffeate
  • trans-Caffeate
  • (E)-3-(3,4-dihydroxyphenyl)acrylicacid
  • (E)-3-(3,4-dihydroxyphenyl)acrylicacid
  • (E)-3-(3,4-dihydroxyphenyl)acrylicacid
  • SW197202-3
  • SW197202-3
  • SW197202-3
  • NS00010313
  • NS00010313
  • NS00010313
  • 3,4-Dihydroxybenzeneacrylate
  • 3,4-Dihydroxybenzeneacrylate
  • 3,4-Dihydroxybenzeneacrylate
  • HSDB 7088
  • HSDB 7088
  • HSDB 7088
  • HY-121231
  • HY-121231
  • HY-121231
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • CHEBI:36281
  • CHEBI:36281
  • CHEBI:36281
  • cid_689043
  • cid_689043
  • cid_689043
  • 71693-97-5
  • 71693-97-5
  • 71693-97-5
  • HY-N0172
  • HY-N0172
  • HY-N0172
  • NCGC00022654-03
  • NCGC00022654-03
  • NCGC00022654-03
  • NCGC00260893-01
  • NCGC00260893-01
  • NCGC00260893-01
  • caffeic-acid
  • caffeic-acid
  • caffeic-acid
  • SR-01000000203-2
  • SR-01000000203-2
  • SR-01000000203-2
  • C01197
  • C01197
  • C01197
  • trans-caffeic acid
  • trans-caffeic acid
  • trans-caffeic acid
  • (E)-3,4-dihydroxycinnamic acid
  • (E)-3,4-dihydroxycinnamic acid
  • (E)-3,4-dihydroxycinnamic acid
  • (E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • (E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • (E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • trans-Caffeic acid, certified reference material, TraceCERT(R)
  • trans-Caffeic acid, certified reference material, TraceCERT(R)
  • trans-Caffeic acid, certified reference material, TraceCERT(R)
  • Caffeic Acid,(S)
  • Caffeic Acid,(S)
  • Caffeic Acid,(S)
  • 3,4-Dihydroxycinnamic acid, predominantly trans
  • 3,4-Dihydroxycinnamic acid, predominantly trans
  • 3,4-Dihydroxycinnamic acid, predominantly trans
  • NCGC00258202-01
  • NCGC00258202-01
  • NCGC00258202-01
  • NCGC00017364-22
  • NCGC00017364-22
  • NCGC00017364-22
  • SDCCGMLS-0002982.P003
  • SDCCGMLS-0002982.P003
  • SDCCGMLS-0002982.P003
  • SR-01000000203-6
  • SR-01000000203-6
  • SR-01000000203-6
  • XC164210
  • XC164210
  • XC164210
  • UNII-U2S3A33KVM
  • UNII-U2S3A33KVM
  • UNII-U2S3A33KVM
  • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • EU-0100208
  • EU-0100208
  • EU-0100208
  • NCGC00017364-11
  • NCGC00017364-11
  • NCGC00017364-11
  • SMR004703501
  • SMR004703501
  • SMR004703501
  • EN300-1067793
  • EN300-1067793
  • EN300-1067793
  • Cinnamic acid,4-dihydroxy-
  • Cinnamic acid,4-dihydroxy-
  • Cinnamic acid,4-dihydroxy-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-
  • GTPL5155
  • GTPL5155
  • GTPL5155
  • BIDD:ER0456
  • BIDD:ER0456
  • BIDD:ER0456
  • LP00208
  • LP00208
  • LP00208
  • 3-(3,4-Dihydroxy phenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxy phenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxy phenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxyphenyl)propenoic acid
  • 3-(3,4-Dihydroxyphenyl)propenoic acid
  • 3-(3,4-Dihydroxyphenyl)propenoic acid
  • AKOS000144463
  • AKOS000144463
  • AKOS000144463
  • Caffeic acid, purum, >=95.0% (HPLC)
  • Caffeic acid, purum, >=95.0% (HPLC)
  • Caffeic acid, purum, >=95.0% (HPLC)
  • 3,4-dihydroxycinnamate
  • 3,4-dihydroxycinnamate
  • 3,4-dihydroxycinnamate
  • HMS2235G09
  • HMS2235G09
  • HMS2235G09
  • U2S3A33KVM
  • U2S3A33KVM
  • U2S3A33KVM
  • NCGC00022654-07
  • NCGC00022654-07
  • NCGC00022654-09
  • NCGC00022654-09
  • 3,4-Dihydroxy-trans-cinnamate
  • 3,4-Dihydroxy-trans-cinnamate
  • MLS002207132
  • MLS002207132
  • 331-39-5
  • 331-39-5
  • MLS002222302
  • MLS002222302
  • CAFFEIC ACID [IARC]
  • CAFFEIC ACID [IARC]
  • NCGC00017364-08
  • NCGC00017364-08
  • SR-01000000203-7
  • SR-01000000203-7
  • NSC-623438
  • NSC-623438
  • SPECTRUM1503987
  • SPECTRUM1503987
  • SMR000058214
  • SMR000058214
  • NCGC00022654-07
  • NCGC00017364-09
  • NCGC00017364-09
  • NCGC00022654-09
  • NCGC00022654-06
  • NCGC00022654-06
  • 3,4-Dihydroxy-trans-cinnamate
  • CCG-38895
  • CCG-38895
  • MLS002207132
  • 3,4-dihydroxycinnamic acid (caffeic acid)
  • 3,4-dihydroxycinnamic acid (caffeic acid)
  • 331-39-5
  • 2-Morpholin-4-yl-isonicotinicacidhydrochloride
  • 2-Morpholin-4-yl-isonicotinicacidhydrochloride
  • MLS002222302
  • NSC-57197
  • NSC-57197
  • CAFFEIC ACID [IARC]
  • InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2
  • InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2
  • NCGC00017364-08
  • 8B3E4DA7-F3B0-4972-A315-2E387071737F
  • 8B3E4DA7-F3B0-4972-A315-2E387071737F
  • SR-01000000203-7
  • (2E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • (2E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • NSC-623438
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • SPECTRUM1503987
  • CAFFEIC ACID natural
  • CAFFEIC ACID natural
  • SMR000058214
  • Q414116
  • Q414116
  • NCGC00017364-09
  • Caffeic Acid - CAS 331-39-5
  • Caffeic Acid - CAS 331-39-5
  • NCGC00022654-06
  • Caffeic acid, United States Pharmacopeia (USP) Reference Standard
  • Caffeic acid, United States Pharmacopeia (USP) Reference Standard
  • CCG-38895
  • Caffeic acid, >=98.0% (HPLC)
  • Caffeic acid, >=98.0% (HPLC)
  • 3,4-dihydroxycinnamic acid (caffeic acid)
  • 2-Propenoic acid,4-dihydroxyphenyl)-
  • 2-Propenoic acid,4-dihydroxyphenyl)-
  • 2-Morpholin-4-yl-isonicotinicacidhydrochloride
  • BCP28271
  • BCP28271
  • NSC-57197
  • InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige
  • 8B3E4DA7-F3B0-4972-A315-2E387071737F
  • 3,4-Dihydroxycinnamate, XVII
  • 3,4-Dihydroxycinnamate, XVII
  • (2E)-3-(3,4-dihydroxyphenyl)acrylic acid
  • CAS-331-39-5
  • CAS-331-39-5
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • HMS3649O17
  • CAFFEIC ACID natural
  • HMS3649O17
  • Caffeic acid, 1
  • Q414116
  • Caffeic acid, 1
  • 3-(3,4-dihydroxyphenyl)acrylic acid
  • Caffeic Acid - CAS 331-39-5
  • 3-(3,4-dihydroxyphenyl)acrylic acid
  • caffeic acid, (E)-isomer
  • Caffeic acid, United States Pharmacopeia (USP) Reference Standard
  • caffeic acid, (E)-isomer
  • CAFFEIC ACID [DSC]
  • CAFFEIC ACID [DSC]
  • Caffeic acid, >=98.0% (HPLC)
  • NCGC00017364-06
  • NCGC00017364-06
  • 2-Propenoic acid,4-dihydroxyphenyl)-
  • (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • BCP28271
  • DTXCID10231
  • DTXCID10231
  • Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige
  • F3096-1708
  • F3096-1708
  • 3,4-Dihydroxycinnamate, XVII
  • CAS-331-39-5
  • HMS3649O17
  • Caffeic acid, 1
  • 3-(3,4-dihydroxyphenyl)acrylic acid
  • caffeic acid, (E)-isomer
  • CAFFEIC ACID [DSC]
  • NCGC00017364-06
  • (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • DTXCID10231
  • F3096-1708
  • ConMedNP.2947
  • [331-39-5]
  • trans-caffeate anion
  • (2E)-3-(3,4-dihydroxyphenyl)acrylate
  • MLSMR
  • (E)-caffeic acid
  • trans-caffeate(1-)
  • trans-caffeate
  • Caffeic acid
  • (E)-caffeate
  • Caffeic_acid
  • (E)-caffeate
  • Caffeic_acid
  • 3,4-dihydroxy-trans-cinnamate
  • 3,4-dihydroxy-trans-cinnamate
物化性质
实验特性
LogP 1.19560
PSA 77.76000
沸点 416.8 °C at 760 mmHg
熔点 211-213 °C (dec.)(lit.)
闪点 220 °C
溶解度 ethanol: 50 mg/mL
颜色与性状 Powder
密度 1.478
计算特性
精确分子量 180.04200
氢键供体数量 3
氢键受体数量 4
可旋转化学键数量 2
同位素质量 180.042259
重原子数量 13
复杂度 212
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 1
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) 1.2
拓扑分子极性表面积 77.8
海关数据
海关编码 2918290000
海关数据

中国海关编码:

2918290000

概述:

2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary:

HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

专业数据库参考
PubChemId 329757759
参考资料
Beilstein 1954563
化合物详情(旧版)

SMILES

OC(=O)/C=C/C1=CC(O)=C(O)C=C1

960化工网为您提供3,4-二羟基肉桂酸专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:501-16-6,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:501-16-6
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