propene-1,2,3-tricarboxylic acid (CAS 499-12-7) — formula C6H6O6, molecular weight 174.11; category organic chemicals.
| CAS Number | 499-12-7 |
|---|---|
| Molecular Formula | C6H6O6 |
| Molecular Weight | 174.11 |
| LogP | -1 |
| Applications | 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 |
| Category | Organic Chemicals |
Documented applications: 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.
propene-1,2,3-tricarboxylic acid is a carbon-based organic compound with CAS registry number 499-12-7 and molecular formula C6H6O6 (molecular weight 174.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 499-12-7
Its molecular formula C6H6O6 comprises 6 C, 6 H, 6 O atoms.
Also known as: propene-1,2,3-tricarboxylic acid · 1,2,3-丙烯三羧酸
Category: organic chemicals
The CAS registry number of propene-1,2,3-tricarboxylic acid is 499-12-7.
Molecular formula C6H6O6, molecular weight 174.11.
It is also registered under: propene-1,2,3-tricarboxylic acid, 1,2,3-丙烯三羧酸.
Recorded applications: 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.
Category: Organic Chemicals.
Independent reference data for propene-1,2,3-tricarboxylic acid (CAS 499-12-7), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,2,3-丙烯三羧酸