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3-AllylSalicylaldehyde - 97%, high purity , CAS No.24019-66-7
Basic Description
Synonyms
3-Allyl-2-hydroxybenzaldehyde | 24019-66-7 | 3-Allylsalicylaldehyde | 3-Allyl-2-hydroxy-benzaldehyde | 2-hydroxy-3-prop-2-enylbenzaldehyde | Benzaldehyde, 2-hydroxy-3-(2-propenyl)- | Salicylaldehyde, 3-allyl- | 2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde | MFCD00037364 | 3-Al
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent
Hydroxybenzaldehydes
Alternative Parents
Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504757223
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757223
IUPAC Name
2-hydroxy-3-prop-2-enylbenzaldehyde
INCHI
InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2
InChIKey
INLWEXRRMUMHKB-UHFFFAOYSA-N
Smiles
C=CCC1=C(C(=CC=C1)C=O)O
Isomeric SMILES
C=CCC1=C(C(=CC=C1)C=O)O
WGK Germany
3
Molecular Weight
162.19
Reaxy-Rn
1937672
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937672&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in chloroform
Sensitivity
Air Sensitive
Refractive Index
1.5645
Flash Point(°F)
222.8 °F
Flash Point(°C)
106 °C
Molecular Weight
162.180 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
162.068 Da
Monoisotopic Mass
162.068 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
L1924022