3-Pentanol

CAT: 0203-02717-12Size: 25 mLDry Ice: NoHazardous: Yes

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CAT#:0203-02717-12Size:25 mL

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CAS Number

584-02-1

UN Code

1105

Purity

≧ 98.0% (GC)

Storage Conditions

Room Temperature

Grade

GR (Guaranteed Reagent)

Chemical Information

3-Pentanol

Pentan-3-ol is a secondary alcohol that is pentane substituted by a hydroxy group at position 3. It is produced by plants and is a component of emitted insect sex pheromones. It has a role as a pheromone, a biomarker, a fuel additive and a plant metabolite. It is a pentanol and a secondary alcohol.

CAS Number	584-02-1
PubChem CID	11428
IUPAC Name	pentan-3-ol
Molecular Formula	C5H12O
Molecular Weight	88.15
XLogP	1.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	23

SMILES

CCC(CC)O

InChI

InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChIKey

AQIXEPGDORPWBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 584-02-1

CID: 11428

Formula: C5H12O

MW: 88.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	88.15
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	88.088815002
Monoisotopic Mass	88.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	23.1
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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Alternative Products

Catalog	Name
426578-01	3-Pentanol
HY-W087988S-01	3-Pentanol-d5
HY-W087988R-01	3-Pentanol (Standard)
P04190-01	3-Pentanol 98%
sc-238540	3-Ethyl-3-pentanol
OR922588-01	3-Methyl-3-pentanol
sc-266826	3-Phenyl-3-pentanol
MBS393327-01	Pentanol
426343-01	3-Methyl-1-pentanol
OR1023685-01	3-Methyl-2-Pentanol

3-Pentanol

Chemical Information

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