Products for Research Use Only
RegisterLogin

3-Methyl-1,3-butanediol

CAT: 0572-TRC-M233491-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M233491-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2568-33-4
Synonyms
1,1-Dimethyl-1,3-propanediol; 1,3-Dihydroxy-3-methylbutane; 2-Methyl-2,4-butanediol; 3-Hydroxy-3-methylbutan-1-ol; 3-Hydroxy-3-methylbutanol; 3-Methyl-1,3-butylene glycol; Isopentyl diol; Isoprene glycol
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CC(C)(O)CCO
Molecular Formula
C5H12O2
Molecular Weight
104.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Isopentyldiol
CAS Number2568-33-4
PubChem CID247470
IUPAC Name3-methylbutane-1,3-diol
Molecular FormulaC5H12O2
Molecular Weight104.15
XLogP-0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity50
SMILES
CC(C)(CCO)O
InChI
InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
InChIKey
XPFCZYUVICHKDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopentyldiol
CAS: 2568-33-4
CID: 247470
Formula: C5H12O2
MW: 104.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.15
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass104.083729621
Monoisotopic Mass104.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity50
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-B690010-100G1,3-Butanediol
TRC-B690010-10G1,3-Butanediol
TRC-M222495-10MG2-Methyl-1,4-butanediol
TRC-M222495-50MG2-Methyl-1,4-butanediol
TRC-B710010-5G(R)-(-)-1,3-Butanediol
TRC-M222495-5MG2-Methyl-1,4-butanediol
TRC-B710010-1G(R)-(-)-1,3-Butanediol
TRC-B710010-10G(R)-(-)-1,3-Butanediol
TRC-D354895-2.5G2,3-Dimethyl-1,3-butanediol
TRC-B690020-10G2,3-Butanediol

Alternative Products

CatalogName
283033-013-Methyl-1,3-butanediol
158727-011,3-Butanediol
sc-237711(±) -1,3-Butanediol
C6695-100(R)-(-)-1,3-Butanediol
FB09443-01(S) - (+) -1,3-Butanediol
261758-01S- (+) -1,3-Butanediol
261580-01(R) - (-) -1,3-Butanediol
GK5164-1gR- (-) -1,3-Butanediol
B25920-01(+/-) -1,3-Butanediol 99%

Popular Products