2-Ethylhexyl Formate

CAT: 1596-AR-F10781-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10781-02Size:25 Units

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CAS Number

5460-45-7

Molecular Formula

C9H18O2

Molecular Weight

158.24

API Name

Formic acid

Chemical Information

2-Ethylhexyl formate

CAS Number	5460-45-7
PubChem CID	95568
IUPAC Name	2-ethylhexyl formate
Molecular Formula	C9H18O2
Molecular Weight	158.24
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	91

SMILES

CCCCC(CC)COC=O

InChI

InChI=1S/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3

InChIKey

SIZYAYFVBQLSJP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5460-45-7

CID: 95568

Formula: C9H18O2

MW: 158.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	91.6
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
AR-M03178-01	2-Ethylhexyl Acetate
AR-A04981-01	2-Ethylhexyl Acrylate
AR-V06249-01	2-Ethylhexyl Valerate
AR-F11039-01	Bis (2-ethylhexyl) Fumarate
AR-D06592-01	Bis (2-ethylhexyl) Decanedioate
AR-M02889-01	Bis (2-ethylhexyl) amine
AR-O01040-01	Bis-2-ethylhexyl Ether
AR-P31497-01	2-Ethylhexyl Methyl Phthalate
AR-M02927-01	2-Ethylhexyl Diphenyl Phosphate
AR-O01039-01	2-Methoxy-2-ethylhexyl Benzoate

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