4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate

Basic Information

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CAS Number

87321-20-8

Molecular Formula

C28H38O5

Molecular Weight

454.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

47.0 to 51.0 deg-C

Boiling Point

565.8°C at 760 mmHg

Density

1.049

Flash Point

238.5±26.0 °C

Refractive Index

1.52

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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O=C(O[C@H](CCCCCC)C)C1=CC=C(OC(C2=CC=C(OCCCCCC)C=C2)=O)C=C1

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

InChIKey

PLGPDUBTEHIWRH-QFIPXVFZSA-N

LogP

7.380600000000008

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

532

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
(S)-4-[[(1-Methylheptyl)oxy]carbonyl]phenyl 4-(4-hexyloxy)benzoate
(S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate
(S)-Octan-2-yl 4-((4-(hexyloxy)-benzoyl)oxy)benzoate
[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
S-(+)-2-OCTYL 4-(4-HEXYLOXYBENZOYLOXY)BENZOATE
S 811
4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
AK114712
AX8150645
Z5236
ST24026655
O0461
So(+)-2-octyl 4-(4-hexyloxybenzoyloxy)benzoate
321S208
4-({[(2S)-Octan-2-yl]oxy}carbonyl)phenyl 4-(hexyloxy)benzoate
4-[[[(1S)-1-Methylheptyl]oxy]carbonyl]phenyl 4-(hexyloxy)benzoate (ACI)
Benzoic acid, 4-(hexyloxy)-, 4-[[(1-methylheptyl)oxy]carbonyl]phenyl ester, (S)- (ZCI)
(-)-S 811
ZLI 0811

MDL Number

MFCD01941070

FAQ

What is 4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate (CAS: 87321-20-8)?

4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate is a complex organic compound with a specific structure. It contains a phenol group, an octanoic acid ester, and a hexanol group. This compound is typically used in pharmaceuticals and cosmetics for its specific functionalities.

What are the main uses of 4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate (CAS: 87321-20-8)?

The main uses of 4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate include its application in pharmaceuticals as a potential drug ingredient and in cosmetics for its skin care benefits. It can also be used in research and development for its specific chemical properties.

Is 4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate (CAS: 87321-20-8) safe?

4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate is generally considered safe when used as directed. However, it is important to follow safety guidelines, including proper handling and protective measures, to ensure safety during its use in pharmaceuticals and cosmetics.

How should 4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate (CAS: 87321-20-8) be stored?

4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate should be stored in a cool, dry place away from direct sunlight. Keep the container tightly closed to prevent contamination and degradation. Maintain a temperature range of 15-25°C (59-77°F) to ensure optimal stability and safety.