S-(+)-2-oCtyl 4-(4-hexyloxybenzoyloxy)benzoate

Catalog Number

87321-20-8

CAS

87321-20-8

IUPAC Name

[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate

Synonyms

(S)-4-[[(1-Methylheptyl)oxy]carbonyl]phenyl 4-(4-hexyloxy)benzoate; S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate; BENZOIC ACID, 4-(HEXYLOXY)-, 4-[[[(1S)-1-METHYLHEPTYL]OXY]CARBONYL]PHENYL ESTER; (S)-(+)-methylheptyl 4-(4-N-hexyloxybenzoyloxy)benzoate; (S)-

Molecular Weight

454.60

Molecular Formula

C28H38O5

Product Information

Purity

95%

MDL

MFCD01941070

Physical State

Solid

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Boiling Point

565.8°C at 760 mmHg

Melting Point

49 °C

Density

1.049

Optical Activity

27°, c = 5 in THF

Safety Information

Signal Word

Warning

Precautionary Statement

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.

Hazard Statements

H413 : May cause long lasting harmful effects to aquatic life.

Canonical SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

InChI

InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1

InChI Key

PLGPDUBTEHIWRH-QFIPXVFZSA-N