2′,4′,5′-Trihydroxybutyrophenone
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2′,4′,5′-Trihydroxybutyrophenone
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CAS No:
1421-63-2
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Formula:
C10H12O4
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Chemical Name:
2′,4′,5′-Trihydroxybutyrophenone
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Synonyms:
1-Butanone,1-(2,4,5-trihydroxyphenyl)-;Butyrophenone,2′,4′,5′-trihydroxy-;1-(2,4,5-Trihydroxyphenyl)-1-butanone;THBP;2′,4′,5′-Trihydroxybutyrophenone;2,4,5-Trihydroxybutyrophenone;Trihydroxybutyrophenone;NSC 73478
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CAS No:
2′,4′,5′-Trihydroxybutyrophenone Basic Attributes
196.202
196.20
215-824-8
KN729W3LR0
73478
DTXSID2026232
YELLOW-TAN CRYSTALS
2914501900
Characteristics
77.8
1.78620
Solid
1.2166 (rough estimate)
149-153 °C
293.08°C (rough estimate)
1.5480 (estimate)
VERY SLIGHTLY SOL IN WATER; SOL IN ALC & PROPYLENE GLYCOL
6.0 LB/GAL @ 20 °C
Safety Information
UN 2811 6.1/PG 3
43
24-37
EU5425000
Xi
P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P391, P501
H302
FDA 121.2001: ANTIOXIDANT IN MFR OF FOOD-PACKAGING MATERIAL; 0.005% MAX ADDITION TO FOOD. FDA 121.1116: ANTIOXIDANT, ALONE OR WITH OTHER PERMITTED ANTIOXIDANTS; TOTAL ANTIOXIDANT(S) 0.02% MAX OF OIL OR FAT CONTENT OF FOOD, INCL ESSENTIAL (VOLATILE) OIL CONTENT. /FROM TABLE/
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 128 companies from 1 notifications to the ECHA C&L Inventory.
2′,4′,5′-Trihydroxybutyrophenone Use and Manufacturing
ANTIOXIDANT FOR POLYOLEFINS & PARAFFIN WAXES; FOOD ADDITIVE|ANTIOXIDANT FOR VEGETABLE OILS AND ANIMAL FATS; CHEMICAL PRESERVATIVE FOR ANIMAL FEEDS
(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US
1-Butanone, 1-(2,4,5-trihydroxyphenyl)-: ACTIVE|IN 1963...(THBP) WAS CLEARED FOR USE IN FOODS. IT IS EFFECTIVE & APPARENTLY SAFE FOR USE BASED ON ADEQUATE TOXICITY TESTING, BUT IT SUFFERS FROM...LACK OF CARRY-THROUGH INTO BAKED & FRIED FOODS & DISCOLORATION IN PRESENCE OF IRON SALTS. IT HAS ACHIEVED NO SIGNIFICANT COMMERCIAL USAGE.
GLC METHOD FOR MULTIDETERMINATION OF ANTIOXIDANTS IN FATS, OILS, & DRIED FOOD PRODUCTS.
Computed Properties
Molecular Weight:196.20
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:77.8
Heavy Atom Count:14
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2′,4′,5′-Trihydroxybutyrophenone
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