Methyl isobutyl catechol

CAT: 0063-90029836-1ltSize: 1 LDry Ice: NoHazardous: No

1 / 1

CAT#:0063-90029836-1ltSize:1 L

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

108-11-2

Molecular Formula

(CH3) 2CHCH2CH (OH) CH3

Molecular Weight

102.17

Formulation

(CH3) 2CHCH2CH (OH) CH3

Chemical Information

4-Methyl-2-Pentanol

Methyl isobutyl carbinol appears as a clear colorless liquid. Flash point 120 °F. Less dense than water. Vapors heavier than air.

CAS Number	108-11-2
PubChem CID	7910
IUPAC Name	4-methylpentan-2-ol
Molecular Formula	C6H14O
Molecular Weight	102.17
XLogP	1.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	41

SMILES

CC(C)CC(C)O

InChI

InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3

InChIKey

WVYWICLMDOOCFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-11-2

CID: 7910

Formula: C6H14O

MW: 102.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	102.17
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	102.104465066
Monoisotopic Mass	102.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	41.4
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

Catalog	Name
89967020	Isobutyl acetate
89967020-1lt	Isobutyl acetate
31003684-2.5lt	Methyl isobutyl ketone (M.I.B.K) 4-Methyl-2-pentanone) SG
31003684	Methyl isobutyl ketone (M.I.B.K) 4-Methyl-2-pentanone) SG
23426418-1kg	Catechol (1,2-Dihydroxybenzene)
21118006	Catechol Violet (Pyrocatechol Violet)
23426418	Catechol (1,2-Dihydroxybenzene)
21118006-5g	Catechol Violet (Pyrocatechol Violet)
90031158-2.5lt	Methyl isobutyl ketone (M.I.B.K) 4-Methyl-2-pentanone) SH HPLC grade
90031158	Methyl isobutyl ketone (M.I.B.K) 4-Methyl-2-pentanone) SH HPLC grade

Catalog	Name
3123605	Methyl isobutyl ketone (Isobutyl methyl ketone)
TRC-T004508-100MG	Tadalafil Methyl Catechol
TRC-M295089-10MG	4-Methyl-d3-catechol
TRC-T004513-50MG	Tadalafil Methyl Catechol Glucuronide
GTR19280265-01	Catechol-O-methyl Transferase, Porcine
TBP0061-01	Catechol O-Methyl Transferase (COMT)
AR-P31162-01	4-Methyl Catechol Dimethyl Acetate
OR1085869-01	Methyl 5-isobutyl-2-methoxybenzoate
1732A 02500	Methyl Isobutyl Carbinol 98% For Synthesis
64889	Methyl Isobutyl Carbinol extrapure, 98%