1,3-Butanediol for Synthesis

CAT: 0459-032250-01Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0459-032250-01Size:500 mL

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CAS Number

107-88-0

Chemical Information

1,3-Butanediol

Butane-1,3-diol is a butanediol compound having two hydroxy groups in the 1- and 3-positions. It is a glycol and a butanediol.

CAS Number	107-88-0
PubChem CID	7896
IUPAC Name	butane-1,3-diol
Molecular Formula	C4H10O2
Molecular Weight	90.12
XLogP	-0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	28

SMILES

CC(CCO)O

InChI

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

InChIKey

PUPZLCDOIYMWBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-88-0

CID: 7896

Formula: C4H10O2

MW: 90.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.12
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	90.068079557
Monoisotopic Mass	90.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	28.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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072885-01	1,3-Dihydroxy Acetone for Synthesis (Dimer)
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Catalog	Name
00543 00500	1,3 Butanediol 99.5% For Synthesis
00544 00500	1,4 Butanediol 99% For Synthesis
00962 00500	1,3-Dichlorobenzene 98% For Synthesis
01070 02500	1,3-Dioxolane 99% For Synthesis
0955F 00500	1,3-Dibromopropane 99% For Synthesis
01342 00500	1,1,1,3,3,3-Hexamethyldisilazane 98% For Synthesis
158727-01	1,3-Butanediol
sc-237711	(±) -1,3-Butanediol