Methyl cyclopentyl(hydroxy)phenylacetate

Basic Information

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CAS Number

19833-96-6

Molecular Formula

C14H18O3

Molecular Weight

234.3 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

Physical State

Liquid

Boiling Point

357.5°C at 760 mmHg

SMILES

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COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3

InChIKey

FGMUSNHTKNGVQD-UHFFFAOYSA-N

LogP

2.2374

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

265

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Methyl cyclopentyl(hydroxy)phenylacetate
A4347
Methyl ?-Cyclopentylmandelate
FT-0649188
Methyl cyclopentylphenylglycolate
GLYCOPYRRONIUM BROMIDE IMPURITY L [EP IMPURITY]
NSC-93811
Methyl (2RS)-2-Cyclopentyl-2-hydroxy-2-phenylacetate
DTXSID60864908
methyl cyclopentylmandelate
Q27287496
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, methyl ester
BCP14243
METHYL .ALPHA.-CYCLOPENTYLMANDELATE
METHYL CYCLOPENTYLMANDELATE, (+/-)-
EN300-7359275
methyl (-)-cyclopentylmandelate
W-107672
Cyclopentyl(hydroxy)phenylacetic acid, methyl ester
NSC 93811
methyl(-)-cyclopentylmandelate
Methyl2-cyclopentyl-2-hydroxy-2-phenylacetate
NS00048620
UNII-QUE5YDO74D
AMY11331
Cyclopentyl-hydroxy-phenyl-acetic acid methyl ester
METHYL-2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETATE
METHYL (+/-)-CYCLOPENTYLMANDELATE
Methyl alpha -Cyclopentylmandelate
A-Cyclopentylmandelate
methyl 2-phenyl-2-cyclopentyl-2-hydroxy-acetate

MDL Number

MFCD00019295

Customs Code

2918199090

FAQ

What are the physical and chemical properties of Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6)?

Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6) is a white crystalline solid with a molecular weight of approximately 232.3 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but may react with strong acids or bases. It has a fruity and floral odor.

How is Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6) typically synthesized?

Methyl cyclopentyl(hydroxy)phenylacetate is typically synthesized via the esterification of cyclopentyl(hydroxy)phenylacetic acid with methanol in the presence of a strong acid catalyst such as sulfuric acid. The reaction involves condensation and esterification steps, yielding a high yield and good selectivity.

What industries use Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6)?

Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6) is used in the perfume and fragrance industry due to its characteristic fruity and floral aroma. It is also utilized in the pharmaceutical industry as a fragrance ingredient, and in the cosmetic industry for its scent enhancement properties.

What precautions should be taken when handling Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6)?

When handling Methyl cyclopentyl(hydroxy)phenylacetate (CAS: 19833-96-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and disposal information.