(R)-1,3-Butanediol - CAS 6290-03-5

Catalog:	BB031872
Product Name:	(R)-1,3-Butanediol
CAS:	6290-03-5
Synonyms:	1,3-Butanediol, (3R)-; (R)-(-)-1,3-Butanediol

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Catalog	Size	Price	Stock	Quantity
BB031872	500 g	$388	In stock

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Technical Data

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Computed Properties

IUPAC Name:	(3R)-butane-1,3-diol
Description:	(R)-1,3-Butanediol is used as a solvent for food flavoring agents.
Molecular Weight:	90.12
Molecular Formula:	C4H10O2
Canonical SMILES:	CC(CCO)O
InChI:	InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChI Key:	PUPZLCDOIYMWBV-SCSAIBSYSA-N
Boiling Point:	107-110 °C (23 mmHg)
Melting Point:	0°C
Flash Point:	108°C
Purity:	98%
Density:	1.005 g/cm³
Appearance:	Clear liquid
LogP:	-0.25040
Refractive Index:	1.44
Vapor Pressure:	0.06 mm Hg ( 20 °C)

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Related Functional Groups

Alcohols and Derivatives

[108100-06-7]C9H12O2
(S)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]C16H32O
(Z)-10-Hexadecenol
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2892-51-5]C4H2O4
3,4-Dihydroxy-3-cyclobutene-1,2-dione
[340774-59-6]C8H8O3S
3-Hydroxy-2,3-dihydrobenzothiophene 1,1-Dioxide
[51760-22-6]C8H9BrO2
5-BROMO-1,3-DIHYDROXYMETHYLBENZENE

GHS Hazard Statement:	H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113045416-A	Preparation method of (R) -3-hydroxybutyryl- (R) -3-hydroxybutyl ester	20210323
CN-112538095-A	Chiral tetradentate ligand, chiral ruthenium complex and method for preparing (R) - (-) -1, 3-butanediol	20201214
US-2021284924-A1	System and method for liquid fuel production from carbonaceous materials using recycled conditioned syngas	20200310
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
CN-111100799-A	Method for synthesizing (R) -1, 3-butanediol by using microorganism whole cells	20200113

PMID	Publication Date	Title	Journal
22362892	20120601	Mitochondrial biogenesis and increased uncoupling protein 1 in brown adipose tissue of mice fed a ketone ester diet	FASEB journal : official publication of the Federation of American Societies for Experimental Biology
22361860	20120501	Asymmetric synthesis of (R)-1,3-butanediol from 4-hydroxy-2-butanone by a newly isolated strain Candida krusei ZJB-09162	Applied microbiology and biotechnology
17443321	20070701	Continuous production of chiral 1,3-butanediol using immobilized biocatalysts in a packed bed reactor: promising biocatalysis method with an asymmetric hydrogen-transfer bioreduction	Applied microbiology and biotechnology
12036079	20020401	Synthesis of (R)-1,3-butanediol by enantioselective oxidation using whole recombinant Escherichia coli cells expressing (S)-specific secondary alcohol dehydrogenase	Bioscience, biotechnology, and biochemistry
11766406	20011201	[New orally active penem antibiotic: Farom]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

Complexity:	28.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	90.068079557
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	90.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4