2,4,5-trihydroxybutyrophenone, 1421-63-2

Supplier Sponsors

Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
Email:	Marketing
US Email:	Marketing
Email:	Sales
US Email:	Sales
Voice: 1-631-485-4226
Fax: 1-631-614-7828
US Voice: 1-631-485-4226
US Fax: 1-631-614-7828
Europe	44-203-286-1088
Facebook
Twitter
Linkedin
Blog
Get the App!
CODE159449 CODE159449
Product(s):
1421-63-2 2,4,5-TRIHYDROXYBUTYROPHENONE 95%

Name:	1-(2,4,5-trihydroxyphenyl)butan-1-one
CAS Number:	1421-63-2	3D/inchi
ECHA EINECS - REACH Pre-Reg:	215-824-8
FDA UNII:	KN729W3LR0
Nikkaji Web:	J40.577I
Beilstein Number:	2577028
MDL:	MFCD00020019
XlogP3-AA:	1.90 (est)
Molecular Weight:	196.20244000
Formula:	C10 H12 O4
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:antioxidants

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
FDA Mainterm (SATF):	1421-63-2 ; 2,4,5-TRIHYDROXYBUTYROPHENONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart B--Food Preservatives Sec. 172.190 THBP. FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives. FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart C--Substances for Use as Components of Coatings Sec. 175.300 Resinous and polymeric coatings. FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS Subpart B--Substances for Use as Basic Components of Single and Repeated Use Food Contact Sec. 177.1010 Acrylic and modified acrylic plastics, semirigid and rigid. FDA PART 181 -- PRIOR-SANCTIONED FOOD INGREDIENTS Subpart B--Specific Prior-Sanctioned Food Ingredients Sec. 181.24 Antioxidants.

Physical Properties:

Appearance:	yellow tan crystalline powder (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	149.00 to 153.00 °C. @ 760.00 mm Hg
Boiling Point:	409.00 to 410.00 °C. @ 760.00 mm Hg (est)
Flash Point:	420.00 °F. TCC ( 215.40 °C. ) (est)
logP (o/w):	1.872 (est)
Soluble in:
	water, 3459 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2,4,5-TRIHYDROXYBUTYROPHENONE 95%

Santa Cruz Biotechnology

For experimental / research use only.

1-(2,4,5-Trihydroxyphenyl)-1-butanone ≥97%

Sigma-Aldrich: Aldrich

For experimental / research use only.

1-(2,4,5-Trihydroxyphenyl)-1-butanone

sds

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 200 mg/kg National Technical Information Service. Vol. AD277-689
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
antioxidants
Recommendation for 2,4,5-trihydroxybutyrophenone usage levels up to:
	not for fragrance use.

Recommendation for 2,4,5-trihydroxybutyrophenone flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

Chemical Carcinogenesis Research Information System:Search

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):1421-63-2

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :15008

National Institute of Allergy and Infectious Diseases:Data

1-(2,4,5-trihydroxyphenyl)butan-1-one

Chemidplus:0001421632

EPA/NOAA CAMEO:hazardous materials

RTECS:EU5425000 for cas# 1421-63-2

References:

	1-(2,4,5-trihydroxyphenyl)butan-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	15008
Pubchem (sid):	134979166

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
FDA Indirect Additives used in Food Contact Substances:	View
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB37177
FooDB:	FDB016173
FDA Listing of Food Additive Status:	View
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

1-	butanone, 1- (2,4,5-trihydroxyphenyl)-
1-	butanone, 1-(2,4,5-trihydroxyphenyl)-
	butyrophenone, 2',4',5'-trihydroxy-
	THBP
2',4',5'-	trihydroxybutyrophenone
1-(2,4,5-	trihydroxyphenyl)-1-butanone
1-(2,4,5-	trihydroxyphenyl)butan-1-one

Articles:

PubMed:Fast analysis of synthetic antioxidants in edible vegetable oil using trilinear component modeling of liquid chromatography-diode array detection data.

PubMed:Characterization of phloretin-sensitive urea export from the perfused rat liver.

PubMed:Liquid chromatographic method for the determination of nine phenolic antioxidants in butter oil: collaborative study.

PubMed:Esters of 3,4-dihydroxybenzoic acid, highly effective inhibitors of the sn-glycerol-3-phosphate oxidase of Trypanosoma brucei brucei.

PubMed:High performance liquid chromatographic determination of seven antioxidants in oil and lard: collaborative study.

PubMed:Systematic identification of antioxidants in lards, shortenings, and vegetable oils by thin layer chromatography.

PubMed:High performance liquid chromatographic determination of nine phenolic antioxidants in oils, lards, and shortenings.

PubMed:A rapid gas-liquid chromatographic method for the multi-determination of antioxidants in fats, oils and dried food products.

Notes:

Antioxidant, esp. for fats and oils. Potential food packaging migration residue

2,4,5-trihydroxybutyrophenone 1-butanone, 1-(2,4,5-trihydroxyphenyl)-

Supplier Sponsors

Articles:

2,4,5-trihydroxybutyrophenone
1-butanone, 1-(2,4,5-trihydroxyphenyl)-