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38030-57-8

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38030-57-8 Structure

38030-57-8 Structure
IdentificationBack Directory
[Name]

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
[CAS]

38030-57-8
[Synonyms]

Ro 12-4824
4-Oxo-atRA
Ro 11-4824
4-oxo-Retinoic acid
4-Ketoretinoic acid
Tretinoin Impurity 7
Retinoic acid, 4-oxo-
4-Oxo-all-trans-retinoic acid
all-trans 4-Keto Retinoic Acid
4-Oxo Tretinoin (4-Oxo Retinoic Acid)
4-Oxo Retinoic Acid (4-Oxo Tretinoin)
(E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid
[Molecular Formula]

C20H26O3
[MDL Number]

MFCD00870472
[MOL File]

38030-57-8.mol
[Molecular Weight]

314.42
Chemical PropertiesBack Directory
[Melting point ]

175-179 °C
[Boiling point ]

509.9±29.0 °C(Predicted)
[density ]

1.070±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.73±0.33(Predicted)
[color ]

Yellow to Dark Orange
[Stability:]

Store Dry in Freezer at -20°C for up to 1 year; in Solution at -20°C for up to 3 Months.
[Major Application]

clinical testing
[InChI]

InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
[InChIKey]

GGCUJPCCTQNTJF-FRCNGJHJSA-N
[SMILES]

C(O)(=O)/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCC(=O)C=1C)\C)\C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H315-H361
[Precautionary statements ]

P201-P202-P264-P280-P302+P352-P308+P313-P321-P362+P364-P332+P313-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

Orange Solid
[Uses]

A metabolite of all-trans-Retinoic Acid, a ligand for both the retinoic acid receptor (RAR) and the retinoid X receptor (RXR).
[Definition]

ChEBI: A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring.
Spectrum DetailBack Directory
[Spectrum Detail]

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid(38030-57-8)1HNMR
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