All-trans-retinal

• Catalog Number: ACM116314
• Product Name: All-trans-retinal
• CAS: 116-31-4
• Category: Heterocyclic Organic Compound
• Synonyms: Axerophthal
• IUPAC Name: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
• Molecular Weight: 284.44
• Molecular Formula: C20H28O
• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
• InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
• InChI Key: NCYCYZXNIZJOKI-OVSJKPMPSA-N
• Boiling Point: 366.92 °C
• Melting Point: 61-63 °C
• Flash Point: 205.4 °C
• Density: 1.0083 g/cm³
• Appearance: Yellow powder
• Storage: -20 °C
• Complexity: 522
• Exact Mass: 284.214015512
• Hazard Statements: Xn
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
• Monoisotopic Mass: 284.214015512
• Refractive Index: 1.4500
• Safety Description: 22-36/37
• Supplemental Hazard Statements: H302-H315
• Symbol: GHS07
• Topological Polar Surface Area: 17.1 Ų

Custom Q&A

What is the molecular formula of all-trans-retinal?

The molecular formula of all-trans-retinal is C20H28O.

What is the molecular weight of all-trans-retinal?

The molecular weight of all-trans-retinal is 284.4 g/mol.

What is the IUPAC name of all-trans-retinal?

The IUPAC name of all-trans-retinal is (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal.

What is the InChI of all-trans-retinal?

The InChI of all-trans-retinal is InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+.

What is the InChIKey of all-trans-retinal?

The InChIKey of all-trans-retinal is NCYCYZXNIZJOKI-OVSJKPMPSA-N.

What is the canonical SMILES of all-trans-retinal?

The canonical SMILES of all-trans-retinal is CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C.

What is the CAS number of all-trans-retinal?

The CAS number of all-trans-retinal is 116-31-4.

What is the ChEBI ID of all-trans-retinal?

The ChEBI ID of all-trans-retinal is CHEBI81379.

What is the Lipid Maps ID of all-trans-retinal?

The Lipid Maps ID of all-trans-retinal is LMPR01090002.

What is the Wikidata ID of all-trans-retinal?

The Wikidata ID of all-trans-retinal is Q28529715.