4-(trans-4-Butylcyclohexyl)benzoic acid

Basic Information

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CAS Number

83626-35-1

Molecular Formula

C17H24O2

Molecular Weight

260.38 g/mol

Basic Physical Properties

Boiling Point

397.2°C at 760 mmHg

SMILES

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CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H24O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h9-14H,2-8H2,1H3,(H,18,19)/t13-,14-

InChIKey

BFZJIPFMDIHKKI-HDJSIYSDSA-N

LogP

4.848800000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

271

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

BRD-K47709646-001-01-4
4-butyl-cyclohexyl benzoic acid
Q27165794
ChemDiv3_000313
Oprea1_048410
DTXSID00389266
NCGC00176177-02
CS-0152439
4-(trans-4-butylcyclohexyl)benzoic acid
4-(trans-4-butylcyclohexyl)benzoicacid
CHEBI:94042
4-(4-butylcyclohexyl)benzoic acid
F16530
MFCD06658178
FT-0641912
AKOS000618608
AB01333092-02
SCHEMBL5888896
A840616
B5318
Benzoic acid, 4-(4-butylcyclohexyl)-, trans-
4-(trans-4-n-Butylcyclohexyl)benzoic acid
NCGC00176177-01
HMS1473O05
SCHEMBL5888893
IDI1_019631
83626-35-1
4-Butylcyclohexyl Benzoic Acid
AKOS015914945
4-((1s,4r)-4-butylcyclohexyl)benzoic acid
DS-17497

MDL Number

MFCD06658178

FAQ

What is 4-(trans-4-Butylcyclohexyl)benzoic acid (CAS: 83626-35-1)?

4-(trans-4-Butylcyclohexyl)benzoic acid is a chemical compound with the CAS number 83626-35-1. It is a white to off-white solid with the molecular formula C15H24O2. This compound has a fruity, floral aroma and is used in perfumery and flavoring agents.

What are the main uses of 4-(trans-4-Butylcyclohexyl)benzoic acid (CAS: 83626-35-1)?

4-(trans-4-Butylcyclohexyl)benzoic acid is primarily used as a flavoring and fragrance ingredient in the food and perfume industries. It is also used in the production of synthetic musks and other aroma chemicals.

Is 4-(trans-4-Butylcyclohexyl)benzoic acid (CAS: 83626-35-1) safe?

4-(trans-4-Butylcyclohexyl)benzoic acid is considered safe for its intended uses in the food and fragrance industries. However, it is important to follow all safety guidelines and use appropriate personal protective equipment when handling the compound. Exposure to high concentrations can cause skin irritation, so proper handling and storage are essential.

How should 4-(trans-4-Butylcyclohexyl)benzoic acid (CAS: 83626-35-1) be stored?

4-(trans-4-Butylcyclohexyl)benzoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light from affecting the quality of the compound. The storage temperature should be maintained between 15°C and 25°C, with a maximum relative humidity of 40% to 60%.