(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

Basic Information

View in Editor

CAS Number

133676-09-2

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

Solubility

Insuluble (2.2E-6 g/L) (25 ºC),

SMILES

View in Editor

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

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

InChIKey

PLGPDUBTEHIWRH-JOCHJYFZSA-N

LogP

7.380600000000008

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

532

Synonyms & References

English

(R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
(R)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate
BENZOIC ACID, 4-(HEXYLOXY)-, 4-[[[(1R)-1-METHYLHEPTYL]OXY]CARBONYL]PHENYL ESTER
R811
4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (R)-2-Octyl Ester
(+)-S 811
ZLI 3786
O0460
Benzoic acid,4-(hexyloxy)-,4-[[[(1R)-1-methylheptyl]oxy]carbonyl]phenyl ester
R 811

MDL Number

MFCD21603881

FAQ

What regulatory guidelines apply to (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2)?

The (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) falls under the classification of chemicals regulated by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is also subject to the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations. In the United States, it is covered by the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) rules for chemical substances.

Are there alternatives to (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) in synthesis?

Alternatives to (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) include other substituted benzoates or related esters. Isomers like the (S)-isomer or analogs such as 4-((4-(hexyloxy)benzoyl)oxy)benzoic acid can also be used as synthetic alternatives. Other reagents like hexanoic acid or hexyl benzoate may be considered depending on the desired outcome and reaction conditions.

What is the market or research trend for (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2)?

The market for (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) is primarily driven by its applications in pharmaceuticals and cosmetics. Research trends focus on its use as a functional ingredient in personal care products and as a potential intermediate in the synthesis of other compounds. Market trends indicate increasing demand due to its biodegradable nature and eco-friendly properties.

How should waste containing (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) be handled?

Waste containing (R)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate (CAS: 133676-09-2) should be collected and stored in appropriate containers lined with absorbent materials to prevent leakage. Disposal should follow local, state, and federal regulations, often involving incineration or professional waste disposal services. Environmental protection precautions include ensuring no contamination of water sources and proper documentation of waste management practices.