Benzoic acid, 4-(hexyloxy)-, 4-[[[(1R)-1-methylheptyl]oxy]carbonyl]phenyl ester

Catalog Number

133676-09-2

CAS

133676-09-2

IUPAC Name

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

Synonyms

[4-[(2R)-octan-2-yl]oxycarbonylphenyl]4-hexoxybenzoate; 133676-09-2; (R)-Octan-2-yl4-((4-(hexyloxy)benzoyl)oxy)benzoate; SCHEMBL9754649; ZINC33605247; AKOS022180676

Molecular Weight

454.59832

Molecular Formula

C28H38O5

Product Information

Purity

95%

MDL

MFCD21603881

Physical State

Solid

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Boiling Point

565.8 °C / 760 mmHg

Melting Point

49 °C

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.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

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-/m1/s1

InChI Key

PLGPDUBTEHIWRH-JOCHJYFZSA-N