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· · COA & SDS available for every product · Same-day shipping on in-stock items Heptaldehyde - ≥97% , CAS No.111-71-7
Synonyms
N-HEPTANAL|Oenanthol|1-Heptaldehyde|Heptanal|HEPTANAL [MI]|n-Heptylaldehyde|Enanthal|Enanthole|Heptanal (natural)|n-Heptaldehyde [UN3056] [Flammable liquid]|Heptylaldehyde|Heptanal-d14|Oenanthal|Heptanaldehyde|Oenanthic aldehyde|N-HEPTANAL [HSDB]|n-Heptaldehyde|Oenanthole|Enanthic aldehyde|HEPTANAL [FCC]|HEPTANAL [FHFI]|heptan-1-al|Aldehyde C-7|Enanthaldehyde|n-Heptaldehyde [UN3056] [Flammable liquid]|FEMA NUMBER 2540|Oenanthaldehyde|1-Heptanal|Heptaldehyde|HEPTANAL (ALDEHYDE C-7)
Storage
Protected from light,Room temperature,Argon charged
Shipped In
FedEx DG Service
Specifications Synonyms
N-HEPTANAL | Oenanthol | 1-Heptaldehyde | Heptanal | HEPTANAL [MI] | n-Heptylaldehyde | Enanthal | Enanthole | Heptanal (natural) | n-Heptaldehyde [UN3056] [Flammable liquid] | Heptylaldehyde | Heptanal-d14 | Oenanthal | Heptanaldehyde | Oenanthic aldehyde | N-HEPTANAL [HSDB] | n-Heptaldehyde | Oenanthole | Enanthic aldehyde | HEPTANAL [F Show more
Specifications & Purity
≥97%
Storage
Protected from light,Room temperature,Argon charged
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751595
Canonical Smiles
CCCCCCC=O
InChIKey
FXHGMKSSBGDXIY-UHFFFAOYSA-N
INCHI
1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
Isomeric SMILES
CCCCCCC=O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560236&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Aldehydes Direct Parent Medium-chain aldehydes Alternative Parents Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. External Descriptors an n -alkanal 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water 1.3 g/L Sensitivity Light sensitive，Air sensitive,Heat sensitive x_refractive_index 1.4151 x_flash_point_drop_centigrade 35℃ x_boil_point_char 153°C x_melt_point_char -42°C Molecular Weight 114.190 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 5 Exact Mass 114.104 Da Monoisotopic Mass 114.104 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 50.300 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
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