1,2,3-丙烯三羧酸（CAS 499-12-7）：分子式 C6H6O6、分子量 174.11。
| CAS号 | 499-12-7 |
|---|---|
| 分子式 | C6H6O6 |
| 分子量 | 174.11 |
| LogP | -1 |
| 应用领域 | Uses: Naturally present in the leaves and tubers of beet root、sugar cane、and other plants、Used as a plasticizer for buna rubber and plastics and to make itaconic acid、[Merck Index] Used as a flavor、antioxidant、and in the preparation of plasticizers and wetting agents、[HSDB]、MFR ITACONIC ACID、AS PLASTICIZER FOR BUNA RUBBER & PLASTICS、USED AS TRIETHYL OR TRIBUTYL ESTER、SYNTHETIC FLAVORING SUBSTANCE & ADJUVANT、PREPN OF PLASTICIZERS & WETTING AGENTS、ANTIOXIDANT、ORG SYNTHESES、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: ...COMMERCIALLY FROM CALCIUM MAGNESIUM ACONITATE RECOVERED FROM SUGAR CANE JUICE: MCCALIP、SEIBERT、IND ENG CHEM 33、637 (1941)、FROM MOLASSES: REGNA、BRUINS、IND ENG CHEM 48、1268 (1956). MOST OF COMMERCIAL ACONITIC ACID IS、HOWEVER、MANUFACTURED BY SULFURIC ACID DEHYDRATION OF CITRIC ACID: BRUCE、ORG SYN COLL VOL II、P 12 (1943)、BY USING METHANESULFONIC ACID INSTEAD OF SULFURIC: CRANSTON、US PATENT 2、727、066 (1955 TO DANIEL F KELLY). ...PREPD BY ANY OF ABOVE METHODS HAS THE TRANS-CONFIGURATION...、U.S. Production: (1986) No Data、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: 1-Propene-1、2、3-tricarboxylic acid: INACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.20-2.0 PPM、ALCOHOLIC BEVERAGES 20 PPM、ICE CREAM、ICES、ETC 0.60 PPM、CANDY 0.60-3O PPM、BAKED GOODS 0.60-15 PPM、CHEWING GUM 28 PPM、FEMA NUMBER 2010 |
登记用途：Uses: Naturally present in the leaves and tubers of beet root、sugar cane、and other plants、Used as a plasticizer for buna rubber and plastics and to make itaconic acid、[Merck Index] Used as a flavor、antioxidant、and in the preparation of plasticizers and wetting agents、[HSDB]、MFR ITACONIC ACID、AS PLASTICIZER FOR BUNA RUBBER & PLASTICS、USED AS TRIETHYL OR TRIBUTYL ESTER、SYNTHETIC FLAVORING SUBSTANCE & ADJUVANT、PREPN OF PLASTICIZERS & WETTING AGENTS、ANTIOXIDANT、ORG SYNTHESES、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: ...COMMERCIALLY FROM CALCIUM MAGNESIUM ACONITATE RECOVERED FROM SUGAR CANE JUICE: MCCALIP、SEIBERT、IND ENG CHEM 33、637 (1941)、FROM MOLASSES: REGNA、BRUINS、IND ENG CHEM 48、1268 (1956). MOST OF COMMERCIAL ACONITIC ACID IS、HOWEVER、MANUFACTURED BY SULFURIC ACID DEHYDRATION OF CITRIC ACID: BRUCE、ORG SYN COLL VOL II、P 12 (1943)、BY USING METHANESULFONIC ACID INSTEAD OF SULFURIC: CRANSTON、US PATENT 2、727、066 (1955 TO DANIEL F KELLY). ...PREPD BY ANY OF ABOVE METHODS HAS THE TRANS-CONFIGURATION...、U.S. Production: (1986) No Data、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: 1-Propene-1、2、3-tricarboxylic acid: INACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.20-2.0 PPM、ALCOHOLIC BEVERAGES 20 PPM、ICE CREAM、ICES、ETC 0.60 PPM、CANDY 0.60-3O PPM、BAKED GOODS 0.60-15 PPM、CHEWING GUM 28 PPM、FEMA NUMBER 2010。
1,2,3-丙烯三羧酸 是一种化工化合物，登记 CAS 号为 499-12-7，分子式 C6H6O6（分子量 174.11）。
登记 CAS 号：499-12-7
其分子式 C6H6O6 由 6 个碳、6 个氢、6 个氧 组成。
别名/同义词：1,2,3-丙烯三羧酸 · propene-1,2,3-tricarboxylic acid
1,2,3-丙烯三羧酸 的 CAS 登记号为 499-12-7。
分子式 C6H6O6，分子量 174.11。
别名/同义词：1,2,3-丙烯三羧酸、propene-1,2,3-tricarboxylic acid。
登记用途：Uses: Naturally present in the leaves and tubers of beet root、sugar cane、and other plants、Used as a plasticizer for buna rubber and plastics and to make itaconic acid、[Merck Index] Used as a flavor、antioxidant、and in the preparation of plasticizers and wetting agents、[HSDB]、MFR ITACONIC ACID、AS PLASTICIZER FOR BUNA RUBBER & PLASTICS、USED AS TRIETHYL OR TRIBUTYL ESTER、SYNTHETIC FLAVORING SUBSTANCE & ADJUVANT、PREPN OF PLASTICIZERS & WETTING AGENTS、ANTIOXIDANT、ORG SYNTHESES、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: ...COMMERCIALLY FROM CALCIUM MAGNESIUM ACONITATE RECOVERED FROM SUGAR CANE JUICE: MCCALIP、SEIBERT、IND ENG CHEM 33、637 (1941)、FROM MOLASSES: REGNA、BRUINS、IND ENG CHEM 48、1268 (1956). MOST OF COMMERCIAL ACONITIC ACID IS、HOWEVER、MANUFACTURED BY SULFURIC ACID DEHYDRATION OF CITRIC ACID: BRUCE、ORG SYN COLL VOL II、P 12 (1943)、BY USING METHANESULFONIC ACID INSTEAD OF SULFURIC: CRANSTON、US PATENT 2、727、066 (1955 TO DANIEL F KELLY). ...PREPD BY ANY OF ABOVE METHODS HAS THE TRANS-CONFIGURATION...、U.S. Production: (1986) No Data、U.S. Imports: (1986) No Data、U.S. Exports: (1986) No Data、General Manufacturing Information: 1-Propene-1、2、3-tricarboxylic acid: INACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.20-2.0 PPM、ALCOHOLIC BEVERAGES 20 PPM、ICE CREAM、ICES、ETC 0.60 PPM、CANDY 0.60-3O PPM、BAKED GOODS 0.60-15 PPM、CHEWING GUM 28 PPM、FEMA NUMBER 2010。
1,2,3-丙烯三羧酸（CAS 499-12-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 499-12-7 |
|---|---|
| PubChem CID | 309 |
| Molecular formula | C6H6O6 |
| IUPAC name | prop-1-ene-1,2,3-tricarboxylic acid |
| UNII (FDA) | 93371T1BXP |
| FEMA number | 2010 |
| JECFA number | 627 |
| Molecular Weight | 174.11 |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.01643791 |
| Monoisotopic Mass | 174.01643791 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 12 |
| Dissociation Constants | K1 AT 25 °C= 1.58X10-3; K2= 3.5X10-5 |
|---|
ACONITIC ACID; Achilleic acid; 499-12-7; 1-Propene-1,2,3-tricarboxylic acid; Citridic acid; Equisetic acid; 3-Carboxy-2-pentenedioic acid; DTXSID9060102; CHEBI:22211; Propene-1,2,3-tricarboxylic acid; FEMA No. 2010; 93371T1BXP; NSC-7616; RefChem:388769; DTXCID5040756; 207-877-0
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Nuts No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 97.8% (89 / 91) |
| GHS notification summary | 97.8% (89 / 91) |
|---|
This chemical does not meet GHS hazard criteria for 97.8% (89 of 91) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 91 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
propene-1,2,3-tricarboxylic acid · CAS 499-12-7 · C6H6O6. UNII 93371T1BXP. Dissociation Constants: K1 AT 25 °C= 1.58X10-3; K2= 3.5X10-5.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: propene-1,2,3-tricarboxylic acid