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3-(4-Isopropylphenyl)isobutyraldehyde - >92.0%, high purity , CAS No.103-95-7

COA

Grade & Purity:

≥92%

Cas Number: 103-95-7
Molecular Weight: 190.29
MDL number: MFCD00024160
PubChem CID: 517827
PubChem SID: 488189979

In stock

Item Number

I157424

Grouped product items
SKU	Size	Availability	Price
I157424-5ml	5ml	3	$19.90
I157424-25ml	25ml	3	$74.90
I157424-100ml	100ml	3	$266.90

View related series

aldehyde (388) Non heterocyclic block (8163)

Basic Description

Synonyms	I0377 \| .alpha.-Methyl-p-isopropylhydrocinnamic aldehyde \| 2-METHYL-3-(P-ISOPROPYLPHENYL)PROPIONALDEHYDE [FHFI] \| 3-(4-Isopropylphenyl)-2-methylpropanal # \| Hydrocinnamaldehyde, isopropylmethyl- \| 4-Isopropyl-alpha-methylhydrocinnamaldehyde \| alpha-Methyl
Specifications & Purity	≥92%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Phenylpropanes Cumenes Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488189979
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189979
IUPAC Name	2-methyl-3-(4-propan-2-ylphenyl)propanal
INCHI	InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKey	ZFNVDHOSLNRHNN-UHFFFAOYSA-N
Smiles	CC(C)C1=CC=C(C=C1)CC(C)C=O
Isomeric SMILES	CC(C)C1=CC=C(C=C1)CC(C)C=O
RTECS	MW4900000
Molecular Weight	190.29
Reaxy-Rn	2047689
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047689&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
D1912058	Certificate of Analysis	Feb 03, 2023	I157424

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.5040-1.5080
Flash Point(°F)	109°C(lit.)
Flash Point(°C)	109°C(lit.)
Boil Point(°C)	270 °C
Molecular Weight	190.280 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	190.136 Da
Monoisotopic Mass	190.136 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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