1-(3-Isobutylphenyl)ethanone

Name: 1-(3-Isobutylphenyl)ethanone
Brand: Vaqora Chemicals
SKU: VQ-039281

About 1-(3-Isobutylphenyl)ethanone

Vaqora Chemicals supplies 1-(3-Isobutylphenyl)ethanone, a carbonyl building block registered under CAS number 877612-13-0. Its molecular formula is C12H16O and its molecular weight is 176.25 g/mol. The IUPAC name is 1-[3-(2-methylpropyl)phenyl]ethanone. Common synonyms include 1-[3-(2-methylpropyl)phenyl]ethan-1-one and 1-(3-(2-methylpropyl)phenyl)ethan-1-one.

Store in a tightly closed container in a cool, dry and well-ventilated place. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

It is commonly used for organic synthesis, condensation and reductive amination and API intermediates. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. SDS and detailed specification sheets can be requested with your quotation.

Typical applications

Organic synthesis
Condensation & reductive amination
API intermediates

Industries

Specifications & identifiers

Chemical identifiers
Product name	1-(3-Isobutylphenyl)ethanone
Catalogue No.	VQ-039281
CAS Number	877612-13-0
IUPAC name	1-[3-(2-methylpropyl)phenyl]ethanone
Molecular formula	C₁₂H₁₆O
Molecular weight	176.25 g/mol
Exact mass	176.1201
InChIKey	MOZGWLKDRDPIEY-UHFFFAOYSA-N
SMILES	CC(C)CC1=CC(=CC=C1)C(=O)C
PubChem CID	16224270

Physical properties
Physical form	Other
LogP (XLogP3)	3.2
H-bond donors / acceptors	0 / 1
TPSA	17.1 Å²

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 1-(3-Isobutylphenyl)ethanone?

The CAS Registry Number of 1-(3-Isobutylphenyl)ethanone is 877612-13-0. It is also known as 1-[3-(2-methylpropyl)phenyl]ethan-1-one, 1-(3-(2-methylpropyl)phenyl)ethan-1-one.

What is the molecular formula and molecular weight of 1-(3-Isobutylphenyl)ethanone?

1-(3-Isobutylphenyl)ethanone has the molecular formula C12H16O and a molecular weight of 176.25 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]ethanone.

Which grade and pack sizes of 1-(3-Isobutylphenyl)ethanone can I order?

We supply 1-(3-Isobutylphenyl)ethanone, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 1-(3-Isobutylphenyl)ethanone?

Yes. Every lot of 1-(3-Isobutylphenyl)ethanone is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 1-(3-Isobutylphenyl)ethanone be shipped internationally?

Yes. 1-(3-Isobutylphenyl)ethanone is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.