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3-hydroxybutyric acid
butyric acid, 3-hydroxy- (8CI)

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Flavor Demo Formulas
Name:3-hydroxybutanoic acid
CAS Number: 300-85-6Picture of molecule3D/inchi
Other(deleted CASRN):625-71-8
ECHA EINECS - REACH Pre-Reg:206-099-9
FDA UNII: TZP1275679
Nikkaji Web:J4.451B
Beilstein Number:773861
XlogP3-AA:-0.50 (est)
Molecular Weight:104.10536000
Formula:C4 H8 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:white to tan crystalline solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 46.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 to 270.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 250.00 °F. TCC ( 121.00 °C. ) (est)
logP (o/w): -0.764 (est)
Soluble in:
 water, 1e+006 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
EMD Millipore
For experimental / research use only.
3-Hydroxybutyric Acid
Santa Cruz Biotechnology
For experimental / research use only.
3-Hydroxybutyric Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Hydroxybutyric acid 95%
For experimental / research use only.
DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product) >75.0%(T)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 3-hydroxybutyric acid usage levels up to:
 not for fragrance use.
Recommendation for 3-hydroxybutyric acid flavor usage levels up to:
 not for flavor use.
Safety References:
European Food Safety Authority (EFSA) reference(s):

Scientific Report of EFSA on the risk assessment of salts of authorised acids, phenols or alcohols for use in food contact materials [1]
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):300-85-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :441
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-hydroxybutanoic acid
 3-hydroxybutanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:300-85-6
Pubchem (cid):441
Pubchem (sid):134975448
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
Golm Metabolome Database:Search
KEGG (GenomeNet):C01089
HMDB (The Human Metabolome Database):HMDB00357
YMDB (Yeast Metabolome Database):YMDB01561
Export Tariff Code:2918.19.9890
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 found in nature
 butanoic acid, 3-hydroxy-
 butyric acid, 3-hydroxy- (8CI)
b-hydroxy-N-butyric acid
DL-3-hydroxy-N-butyric acid
3-hydroxybutanoic acid
b-hydroxybutanoic acid
(1)-3-hydroxybutyric acid
b-hydroxybutyric acid
beta-hydroxybutyric acid
dextro,laevo-beta-hydroxybutyric acid
DL-3-hydroxybutyric acid
butyric acid substituted in the beta or 3 position. it is one of the ketone bodies produced in the liver. 3-Hydroxybutanoic acid is a ketone body. It is a chiral compound having two enantiomers. The concentration of beta-hydroxybutyrate, like that of other ketone bodies, is increased in ketosis. In humans, beta-hydroxybutyrate is synthesized in the liver from acetyl-CoA in a reaction catalyzed by the enzyme beta-hydroxybutyrate dehydrogenase and can be used as an energy source by the brain when blood glucose is low. Diabetic patients can have their ketone levels tested via urine or blood to indicate diabetic ketoacidosis. In alcoholic ketoacidosis, this ketone body is produced in greatest concentration. Both types of ketoacidosis result in an increasebeta-hydroxybutyrate to oxaloacetate ratio, resulting in TCA cycle stalling and shifting of glucose towards ketone body production. [Wikipedia]
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