Diisobutyl carbinol

CAT: 0931-T20384Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T20384Size:5 mg

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

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CAS Number

108-82-7

Target

Others, Drug Metabolite

Related Pathways

Others, Metabolism

Bioactivity

Diisobutyl carbinol is a compound that is used in fragrance materials.

Smiles

CC(C)CC(O)CC(C)C

Molecular Formula

C9H20O

Molecular Weight

144.2545

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2,6-Dimethyl-4-heptanol

Diisobutylcarbinol is a secondary alcohol.

CAS Number	108-82-7
PubChem CID	7957
IUPAC Name	2,6-dimethylheptan-4-ol
Molecular Formula	C9H20O
Molecular Weight	144.25
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	66

SMILES

CC(C)CC(CC(C)C)O

InChI

InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3

InChIKey

HXQPUEQDBSPXTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-82-7

CID: 7957

Formula: C9H20O

MW: 144.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.25
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	144.151415257
Monoisotopic Mass	144.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	66.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T20306	Diisobutyl adipate
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TYD-01720-01	Malachite Green Carbinol base hydrochloride
T21162-01	Diisooctyl sebacate
TN6836	1,2-Benzenedicarboxylic acid, diisooctyl ester
T20251	Butyl carbitol acetate
T37555-01	Cardanol triene
T21070-01	Manganese carbonyl

Alternative Products

Catalog	Name
HY-113864	Diisobutyl carbinol
273737-01	Diisobutyl ketone
447044-01	Diisobutyl Phosphite
TRC-D455210-10G	Diisobutyl Phthalate
OR1045888-01	Diisobutyl succinate
sc-268916	Diisobutyl adipate
AR-E10571-01	Diisobutyl Ether
TRC-D455480-500MG	Diisobutyl Phosphate
OR1048865-01	Diisobutyl carbonate
sc-486323	Diisobutyl disulfide

Diisobutyl carbinol

Chemical Information

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