反式4-羟基-3-甲氧基肉桂酸（CAS 537-98-4）：分子式 C10H10O4、分子量 194.18。
| CAS号 | 537-98-4 |
|---|---|
| 分子式 | C10H10O4 |
| 分子量 | 194.18 |
| 熔点 | 168 - 171 °C |
| LogP | log Kow = 1.51 |
| 应用领域 | Uses: Found in small amounts in many plants、Used as a food preservative、[Merck Index]、Widely distributed in plants、[Alfa Aesar MSDS]、Food preservative、Ferulic acid was one of several compounds identified in、... a survey of 624 commercially available supplements targeted towards bodybuilding athletes...、Synthetic Polymer MALDI Matrix Compounds、Use Classification: Cosmetics -> Antimicrobial、Methods of Manufacturing: Prepared by the interaction of vanillin、malonic acid and piperidine in pyridine for 3 weeks、then precipitating with HCl、Ferulic acid is easily prepared in large quantities from rice bran pitch、a blackish brown waste oil with high viscosity、discharged in the process of the rice bran oil production.、General Manufacturing Information: 2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-、(2E)-: ACTIVE、2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-: ACTIVE、Ferulic acid is an extremely abundant、preformed phenolic aromatic chemical found widely in nature. Ferulic acid is viewed as a commodity scale、renewable chemical feedstock for biocatalytic conversion to other useful aromatic chemicals. Most attention is focused on bioconversions of ferulic acid itself. Topics covered include cinnamoyl side-chain cleavage、nonoxidative decarboxylation、mechanistic details of styrene formation、purification and characterization of ferulic acid decarboxylase、conversion of ferulic acid to vanillin、O-demethylation、and reduction reactions. |
登记用途：Uses: Found in small amounts in many plants、Used as a food preservative、[Merck Index]、Widely distributed in plants、[Alfa Aesar MSDS]、Food preservative、Ferulic acid was one of several compounds identified in、... a survey of 624 commercially available supplements targeted towards bodybuilding athletes...、Synthetic Polymer MALDI Matrix Compounds、Use Classification: Cosmetics -> Antimicrobial、Methods of Manufacturing: Prepared by the interaction of vanillin、malonic acid and piperidine in pyridine for 3 weeks、then precipitating with HCl、Ferulic acid is easily prepared in large quantities from rice bran pitch、a blackish brown waste oil with high viscosity、discharged in the process of the rice bran oil production.、General Manufacturing Information: 2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-、(2E)-: ACTIVE、2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-: ACTIVE、Ferulic acid is an extremely abundant、preformed phenolic aromatic chemical found widely in nature. Ferulic acid is viewed as a commodity scale、renewable chemical feedstock for biocatalytic conversion to other useful aromatic chemicals. Most attention is focused on bioconversions of ferulic acid itself. Topics covered include cinnamoyl side-chain cleavage、nonoxidative decarboxylation、mechanistic details of styrene formation、purification and characterization of ferulic acid decarboxylase、conversion of ferulic acid to vanillin、O-demethylation、and reduction reactions.。
反式4-羟基-3-甲氧基肉桂酸 是一种化工化合物，登记 CAS 号为 537-98-4，分子式 C10H10O4（分子量 194.18）。
登记 CAS 号：537-98-4
其分子式 C10H10O4 由 10 个碳、10 个氢、4 个氧 组成。
别名/同义词：反式4-羟基-3-甲氧基肉桂酸 · trans-4-hydroxy-3-methoxycinnamic acid
反式4-羟基-3-甲氧基肉桂酸 的 CAS 登记号为 537-98-4。
分子式 C10H10O4，分子量 194.18。
别名/同义词：反式4-羟基-3-甲氧基肉桂酸、trans-4-hydroxy-3-methoxycinnamic acid。
登记用途：Uses: Found in small amounts in many plants、Used as a food preservative、[Merck Index]、Widely distributed in plants、[Alfa Aesar MSDS]、Food preservative、Ferulic acid was one of several compounds identified in、... a survey of 624 commercially available supplements targeted towards bodybuilding athletes...、Synthetic Polymer MALDI Matrix Compounds、Use Classification: Cosmetics -> Antimicrobial、Methods of Manufacturing: Prepared by the interaction of vanillin、malonic acid and piperidine in pyridine for 3 weeks、then precipitating with HCl、Ferulic acid is easily prepared in large quantities from rice bran pitch、a blackish brown waste oil with high viscosity、discharged in the process of the rice bran oil production.、General Manufacturing Information: 2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-、(2E)-: ACTIVE、2-Propenoic acid、3-(4-hydroxy-3-methoxyphenyl)-: ACTIVE、Ferulic acid is an extremely abundant、preformed phenolic aromatic chemical found widely in nature. Ferulic acid is viewed as a commodity scale、renewable chemical feedstock for biocatalytic conversion to other useful aromatic chemicals. Most attention is focused on bioconversions of ferulic acid itself. Topics covered include cinnamoyl side-chain cleavage、nonoxidative decarboxylation、mechanistic details of styrene formation、purification and characterization of ferulic acid decarboxylase、conversion of ferulic acid to vanillin、O-demethylation、and reduction reactions.。
反式4-羟基-3-甲氧基肉桂酸（CAS 537-98-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 537-98-4 |
|---|---|
| PubChem CID | 445858 |
| Molecular formula | C10H10O4 |
| IUPAC name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| UNII (FDA) | AVM951ZWST |
| Molecular Weight | 194.18 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.05790880 |
| Monoisotopic Mass | 194.05790880 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 14 |
| Melting Point | 168 - 171 °C |
|---|---|
| Vapor Pressure | 0.00000269 [mmHg] |
| LogP | log Kow = 1.51 |
| LogP | 1.51 |
| Dissociation Constants | pKa = 4.58 |
| Collision Cross Section | 140.1 Ų [M-H]- |
ferulic acid; 1135-24-6; 4-Hydroxy-3-methoxycinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; Coniferic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-methoxy-4-hydroxycinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; AVM951ZWST; NSC-2821; NSC-51986; NSC-674320; CHEBI:17620; DTXSID5040673; ferulic acid, (E)-
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents CIR / INCI: Antimicrobial |
|---|---|
| GHS notification summary | 2.4% (8 / 329) |
| GHS notification summary | 2.4% (8 / 329) |
|---|---|
| Reported hazard statements | H315 (97.6%), H319 (97.6%), H335 (97.6%), H317 (100%) |
This chemical does not meet GHS hazard criteria for 2.4% (8 of 329) of reports.
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
trans-4-hydroxy-3-methoxycinnamic acid · CAS 537-98-4 · C10H10O4. UNII AVM951ZWST. Melting Point: 168 - 171 °C; Vapor Pressure: 0.00000269 [mmHg]; LogP: log Kow = 1.51.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: trans-4-hydroxy-3-methoxycinnamic acid