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CAS No.: | 110-44-1 |
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Name: | Sorbic acid |
Article Data: | 130 |
Molecular Structure: | |
Formula: | C6H8O2 |
Molecular Weight: | 112.128 |
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: | 26-36-24/25 |
PSA: | 37.30000 |
LogP: | 1.20330 |
Sorbyl alcohol
sorbic Acid
Conditions | Yield |
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With Acetobacter aceti MIM2000/28 In phosphate buffer; ethanol for 2h; pH=6.8; | 100% |
sorbic Acid
Conditions | Yield |
---|---|
Stage #1: C12H22O2Si; carbon tetrabromide In methanol at 20℃; for 0.5h; Irradiation; Stage #2: In methanol at 20℃; for 1h; | 98% |
Conditions | Yield |
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With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 97% |
With 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h; | 95% |
With Acetobacter aceti MIM2000/28 In phosphate buffer; ethanol for 2h; pH=6.8; | 86% |
With sodium hydroxide; triethanolamine; ethylene diamine tetraacetic acid tetrasodium salt Reagens 4:Silber;Leiten von Luft druch ein Gemisch; |
sorbic Acid
Conditions | Yield |
---|---|
Stage #1: C15H28O2Si; carbon tetrabromide In methanol at 20℃; for 0.5h; Irradiation; Stage #2: In methanol at 20℃; for 2.5h; | 92% |
sorbic Acid
Conditions | Yield |
---|---|
Stage #1: C22H26O2Si; carbon tetrabromide In methanol at 20℃; for 0.5h; Irradiation; Stage #2: In methanol at 20℃; for 5h; | 91% |
trans-Crotonaldehyde
(trimethylsilyl)ketene bis(trimethylsilyl) acetal
sorbic Acid
Conditions | Yield |
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With zinc dibromide In tetrahydrofuran for 3h; Ambient temperature; | 85% |
(E)-2-(Toluene-4-sulfonyloxy)-hex-4-enoic acid
sorbic Acid
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide at 25 - 30℃; for 1h; | 81% |
Conditions | Yield |
---|---|
With pyridine Heating; | 80% |
sorbic Acid
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; | 77% |
4-hydroxy-6-methyl-tetrahydro-2H-pyran-2-one
sorbic Acid
Conditions | Yield |
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Amberlyst-70 In tetrahydrofuran; water at 169.84℃; under 15514.9 Torr; for 12h; Product distribution / selectivity; Inert atmosphere; | 64.1% |
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
SORBIC ACID was first isolated from the unripe berries of the Rowan (Sorbus aucuparia), hence its name.
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.
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. |
Reported in EPA TSCA Inventory.
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
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.