3-Hydroxybutyric Acid

POLY(3-HYDROXYBUTYRATE) · Poly(a-hydroxybutyrate) · poly-beta-hydroxybutyrate · Poly(3-hydroxyvalericacid) · Poly-β-Hydroxybutyric Acid · POLY(3-HYDROXYBUTYRIC ACID) · Poly[(R)-3-hydroxybutyrate] · Poly-beta-hydroxybutyric acid

https://huagongshe.com/en/chemical/441

3-Hydroxybutyric Acid molecular structure

Identifiers & Physical Properties

CAS No.	26063-00-3
Molecular formula	C4H8O3
Average molar mass	104.1 g/mol
Monoisotopic mass	104.04734412 g/mol
SMILES	CC(O)CC(=O)O
InChIKey	WHBMMWSBFZVSSR-UHFFFAOYSA-N
PubChem CID	441
ChEMBL	CHEMBL1162496
ChEBI	CHEBI:20067
EC No.	206-099-9
DTXSID	DTXSID60859511

Chemical & Physical Properties

XLogP	-0.5
Topological polar surface area	57.5
Hydrogen bond donors	2
Hydrogen bond acceptors	3
Rotatable bonds	2
Heavy atoms	7
Formal charge	0
Complexity	69.3
Chemical classes	Other Classes -> Organic Acids
Lipids	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
SpringerMaterials Properties	Chemical shift
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description	Hygroscopic liquid[Merck Index] Clear, colorless to light yellow viscous liquid[Acros Organics MSDS]
Collision Cross Section	137.54 Å² [M-H]- [CCS Type: DTMethod: stepped-field]137.1 Å² [M-H]-
Melting point	47-180 °C
Density	1.2 g/cm3
Storage conditions	2-8°C
Physical state	powder
Color	white to off-white
UNSPSC Code	12352106
NACRES	NA.25
Water hazard class (WGK)	3
Storage class	11 - Combustible Solids

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Chemical: Butanoic acid, 3-hydroxy-3-Hydroxybutyric acid: Does not have an individual approval but may be used under an appropriate group standard
Other safety information	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards summary	An irritant[Acros Organics MSDS] See Butyric acid.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Water hazard class (WGK)	3
Storage class	11 - Combustible Solids

Applications & Uses

Uses

Poly(3-hydroxybutyric acid) (PHB) is a common polyhydroxyalkanoate (PHA), it has been widely used for food packaging, medical implants, biodegradable sutures and drug delivery systems due to its biocompatible and biodegradable properties. PHB has been investigated as drug delivery micro- and nano-carriers.