472-86-6

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472-86-6 Structure

Identification	Back Directory
[Name] 13-CIS-RETINAL
[CAS] 472-86-6
[Synonyms] NEORETINENE A 13-cis-retina (13Z)-Retinal cis-13-retinal 13-DIS-RETINAL 13-CIS-RETINAL 13-CIS-RETINALDEHYDE NEOVITAMIN A ALDEHYDE 2-CIS-VITAMIN A ALDEHYDE 13-CIS-VITAMIN A ALDEHYDE 13-cis-VitaminA aldehyde, Vitamin A aldehyde Neoretinene a, Neovitamin A Aldehyde, 13-cis-Retinaldehyde (2E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal (2Z,4E,6E,8E)-3,7-diMethyl-9-(2,6,6-triMethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
[EINECS(EC#)] 207-456-1
[Molecular Formula] C20H28O
[MDL Number] MFCD00074858
[MOL File] 472-86-6.mol
[Molecular Weight] 284.44

Chemical Properties	Back Directory
[Melting point ] 65-69°C
[Boiling point ] 366.92°C (rough estimate)
[density ] 1.0083 (rough estimate)
[refractive index ] 1.4500 (estimate)
[storage temp. ] -20°C
[solubility ] Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ] Solid
[color ] Yellow to Dark Yellow
[biological source] synthetic (organic)
[Stability:] Light Sensitive
[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-
[InChIKey] NCYCYZXNIZJOKI-HWCYFHEPSA-N
[SMILES] [H]C(=O)C(/[H])=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
[EPA Substance Registry System] Retinal, 13-cis- (472-86-6)

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 20/21/22-38
[Safety Statements ] 22-36
[WGK Germany ] 3
[TSCA ] TSCA listed
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Skin Irrit. 2

Hazard Information	Back Directory
[Chemical Properties] Yellow Solid
[Uses] An isomer of all-trans-Retinal (R240000).
[Definition] ChEBI: A retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration.

Spectrum Detail	Back Directory
[Spectrum Detail] 13-CIS-RETINAL(472-86-6)¹HNMR

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