Basic information
- Name:
Sorbic acid
- CAS No.:
110-44-1
- Molecular Structure:
- Formula:
- C6H8O2
- Molecular Weight:
- 112.14
- Deleted CAS:
- 91751-55-2
- Synonyms:
- alpha-trans-gamma-trans-sorbic acid;(2E,4E)-hexa-2,4-dienoic acid;Hexadienoic acid, (E,E);2,4-Hexadienoic acid;trans,trans-sorbic acid;trans,trans-2,4-hexadienoic acid;hexa-2,4-dienoate;hexadienoic acid;hexa-2,4-dienoic acid;1,3-pentadiene-1-carboxylic acid;2,4-hexadienoic acid, (2E,4E)-;(2-butenylidene)acetic acid;crotylidene acetic acid;(E,E)-2,4-hexadienoic acid;2-Propenylacrylic acid;2,4-Hexadienoic acid,(2E,4E)-;2,4-Hexadienoic acid; Sorbic acid;2, 4—hexadienic acid;
- EINECS:
- 203-768-7
- Density:
- 1.024 g/cm3
- Melting Point:
- 132-135 ºC
- Boiling Point:
- 233 ºC at 760 mmHg
- Flash Point:
- 127 ºC
- Solubility:
- 1.6 g/L (20 ºC) in water
- Appearance:
- White crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-24/25 Details
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Chemistry
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid
Empirical Formula: C6H8O2
Molecular Weight: 112.1265
EINECS: 203-768-7
Structure of Sorbic acid (CAS NO.110-44-1):
Index of Refraction: 1.487
Molar Refractivity: 31.52 cm3
Molar Volume: 109.4 cm3
Polarizability: 12.49×10-24cm3
Surface Tension: 35.4 dyne/cm
Density: 1.024 g/cm3
Flash Point: 139.9 °C
Enthalpy of Vaporization: 51.74 kJ/mol
Melting Point: 132-135 °C(lit.)
Boiling Point: 233 °C at 760 mmHg
Vapour Pressure: 0.02 mmHg at 25°C
Storage temp: 2-8°C
Solubility: ethanol: 0.1 g/mL, clear
Water Solubility: 1.6 g/L (20 ºC)
Stability: Stability Material saturated with this acid may ignite spontaneously. Incompatible with strong oxidizing agents. May be light sensitive.
Product Categories: FOOD ADDITIVES;Food and Feed Additive;Food & Feed ADDITIVES;Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives;Organic acids
Canonical SMILES: CC=CC=CC(=O)O
Isomeric SMILES: C/C=C/C=C/C(=O)O
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChIKey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
History
SORBIC ACID was first isolated from the unripe berries of the Rowan (Sorbus aucuparia), hence its name.
Uses
Sorbic acid (CAS NO.110-44-1) and its mineral salts, such as sodium sorbate, potassium sorbate and calcium sorbate, are antimicrobial agents often used as preservatives in food and drinks to prevent the growth of mold, yeast and fungi.
Sorbic acid (CAS NO.110-44-1) is also used as a bio descaling agent.
Toxicity Data With Reference
| 1. | skn-man 150 mg/1H SEV | JPPMAB Journal of Pharmacy and Pharmacology. 10 (1958),719. | ||
| 2. | skn-rbt 1 mg SEV | UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 7/14 ,1965. | ||
| 3. | cyt-ham:lng 1050 mg/L | FCTOD7 Food and Chemical Toxicology. 22 (1984),501. | ||
| 4. | sce-ham:lng 1050 mg/L | FCTOD7 Food and Chemical Toxicology. 22 (1984),501. | ||
| 5. | scu-rat TDLo:1040 mg/kg/65W-I:ETA | BJCAAI British Journal of Cancer. 20 (1966),134. | ||
| 6. | orl-rat LD50:7360 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. | ||
| 7. | orl-mus LD50:3200 mg/kg | 38MKAJ Pattys Industrial Hygiene and Toxicology. 2C (1982),4953. | ||
| 8. | ipr-mus LD50:2820 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85. | ||
| 9. | scu-mus LD50:2820 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal and subcutaneous routes. Mildly toxic by ingestion. Experimental reproductive effects. A severe human and experimental skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xi
The Risk Statements information of Sorbic acid :
36/37/38: Irritating to eyes, respiratory system and skin
36/38: Irritating to eyes and skin
The Safety Statements information of Sorbic acid :
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
24/25: Avoid contact with skin and eyes
WGK Germany:1
Specification
Sorbic acid , its cas register number is 110-44-1. It also can be called (E,E)-2,4-Hexadienoic acid ; 1,3-Pentadiene-1-carboxylic acid, (E,E)- ; 2,4-Hexadienoic acid, (E,E)- ; 2-Propenylacrylic acid ; 2E,4E-Hexadienoic acid ; Acetic acid, (2-butenylidene)- ; Acetic acid, crotylidene- ; EPA Pesticide Chemical Code 075901 ; Hexadienoic acid ; Kyselina 1,3-pentadien-1-karboxylova ; Kyselina sorbova ; Panosorb ; Sorbistat ; alpha-trans-gamma-trans-Sorbic acid ; trans,trans-Sorbic acid ; trans-trans-2,4-Hexadienoic acid . Sorbic acid (CAS NO.110-44-1) is a white powder or crystals.