2-Isopropoxyethyl Benzoate

CAT: 0127-OR1028767-01Size: 1 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1028767-01Size:1 mL

Selected

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

Quick Request Actions

CAS Number

95241-36-4

Synonyms

2-propan-2-yloxyethyl benzoate

Purity

99%

Smiles

CC(C)OCCOC(=O)C1=CC=CC=C1

Chemical Information

2-Isopropoxyethyl benzoate

CAS Number	95241-36-4
PubChem CID	570438
IUPAC Name	2-propan-2-yloxyethyl benzoate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	183

SMILES

CC(C)OCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O3/c1-10(2)14-8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

QLSUGJQAAUGJHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95241-36-4

CID: 570438

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	183
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

Catalog	Name
OR81100-01	2- (2-Isopropoxyethyl) pyridine
OR1079244-01	Bis (2-isopropoxyethyl) amine
OR922037-01	Methanesulfonic acid 2-isopropoxyethyl ester
OR1077623	N- (1-Isopropoxyethyl) acetamide
OR79257-01	1- (2-Bromo-1-isopropoxyethyl) -3-chlorobenzene
OR1030528-01	2-Bromoethyl Benzoate
OR1010566-01	2-Naphthyl benzoate
OR1052506-01	2-Butoxyethyl benzoate
OR1068780-01	2-Methylpentyl benzoate
OR1010428-01	2-Ethoxyethyl Benzoate

Catalog	Name
sc-487463	2-Isopropoxyethyl Benzoate
sc-489326	2-Isopropoxyethyl 4- (2,3-epoxypropoxy) benzoate
FAA32595-01	2-Cyanoethyl benzoate
417202-01	2-Chlorophenyl Benzoate
RG-A262361-01	2-Hydroxypropyl Benzoate
sc-485992	2-Ethylhexyl Benzoate
sc-274980	2-Methoxyphenyl benzoate
T203967-01	2-Phenylethyl Benzoate
TRC-C984688-250MG	2-Chloroethyl Benzoate
sc-334884A	2- (Pentafluoropropenyl) benzoate