Diisopropylidene Acetone

CAT: 0572-TRC-D473415-25GSize: 25 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-D473415-25GSize:25 g

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CAS Number

504-20-1

Synonyms

Diisobutenyl Ketone; Diisopropylidene Acetone; Foron; NSC 38718; NSC 403517; Phorone; sym-Diisopropylidene Acetone; 2,6-Dimethyl-2,5-heptadien-4-one

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

O=C(/C=C(C)\C)/C=C(C)\C

Molecular Formula

C9H14O

Molecular Weight

138.21

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Phorone

Phorone is a dialkenyl ketone.

CAS Number	504-20-1
PubChem CID	10438
IUPAC Name	2,6-dimethylhepta-2,5-dien-4-one
Molecular Formula	C9H14O
Molecular Weight	138.21
XLogP	2.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	157

SMILES

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

InChI

InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3

InChIKey

MTZWHHIREPJPTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 504-20-1

CID: 10438

Formula: C9H14O

MW: 138.21

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	138.21
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	138.104465066
Monoisotopic Mass	138.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	157
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
A163830	Acetone Cyanohydrin
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TRC-P475345-2.5G	Piperonyl Acetone
TRC-P227550-50MG	Perhydrofarnesyl Acetone
A163820	Acetone Azine
TRC-P475345-250MG	Piperonyl Acetone
TRC-P475345-500MG	Piperonyl Acetone
D458775	1,2:4,5-Diisopropylidene D,L-myo-Inositol
TRC-A163875-250MG	Acetone Hydralazine Hydrazone

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Catalog	Name
447065-01	Diisopropylidene Acetone
40170004-3	Acetone
BAA75230-01	Acetone Thiosemicarbazone
HY-N3074-01	Hexahydrofarnesyl acetone

Diisopropylidene Acetone

Chemical Information

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