3-己烯醛

Description

3-Hexenal (trans/cis mix) is identified by CAS 4440-65-7, molecular formula C6H10O and molecular weight 98.07 g/mol. UNII 3300F8DZ5A; ChEBI 20030; InChIKey GXANMBISFKBPEX-UHFFFAOYSA-N. Boiling Point: 57.00 °C. @ 28.00 mm Hg; Melting Point: 126 °C.

Identification

CAS Registry Number	4440-65-7
PubChem CID	23234
Molecular formula	C6H10O
Molecular weight	98.07 g/mol
IUPAC name	hex-3-enal
InChIKey	GXANMBISFKBPEX-UHFFFAOYSA-N
UNII (FDA)	3300F8DZ5A
ChEBI ID	CHEBI:20030

Computed Descriptors

Molecular Weight	98.14
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	57.00 °C. @ 28.00 mm Hg
Melting Point	126 °C

Physical description & handling notes

• Solid

Synonyms

hex-3-enal; (Z)-hex-3-enal, 50% in triacetin; (E)-3-hexen-1-al; 3-hexen-1-al; SCHEMBL258739; SCHEMBL476031; orb3029172; FEMA 3923; AKOS028109080; NS00082836; Q27109276

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Hexenal (trans/cis mix)?

CAS 4440-65-7; molecular formula C6H10O; molecular weight 98.07 g/mol.

What other names is 3-Hexenal (trans/cis mix) known by?

hex-3-enal, (Z)-hex-3-enal, 50% in triacetin, (E)-3-hexen-1-al, 3-hexen-1-al, SCHEMBL258739, SCHEMBL476031.

What are the key physical properties of 3-Hexenal (trans/cis mix)?

Boiling Point: 57.00 °C. @ 28.00 mm Hg; Melting Point: 126 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.