β-Apo-8'-carotenal (Apocarotenal) is a provitamin A carotenoid and an inducer of CYP1A1 and CYP1A2 in rats. β-Apo-8'-carotenal is found in many fruits and vegetables.

Physicochemical Properties

Molecular Formula	C₃₀H₄₀O
Molecular Weight	416.64
Exact Mass	416.307
CAS #	1107-26-2
PubChem CID	5478003
Appearance	Blue to dark blue solid powder
Density	0.9±0.1 g/cm3
Boiling Point	575.7±19.0 °C at 760 mmHg
Melting Point	138-141ºC
Flash Point	273.8±13.8 °C
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.553
LogP	9.82
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	31
Complexity	887
Defined Atom Stereocenter Count	0
SMILES	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C
InChi Key	DFMMVLFMMAQXHZ-DOKBYWHISA-N
InChi Code	InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
Chemical Name	(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal
Synonyms	β​Apo​8'​carotenal; β ​Apo ​8' ​carotenal
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. beta-Apo-8'-carotenal, but not beta-carotene, is a strong inducer of liver cytochromes P4501A1 and 1A2 in rat.Xenobiotica. 1996 Sep;26(9):909-19.
Additional Infomation	8'-apo-beta,psi-caroten-8'-al is an apo carotenoid triterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8'-position. It is an enal and an apo carotenoid triterpenoid. Apocarotenal has been reported in Citrus reticulata, Capsicum annuum, and other organisms with data available.

Solubility Data

Solubility (In Vitro)	DMSO : ~1 mg/mL (~2.40 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 4.17 mg/mL (10.01 mM) in Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4002 mL	12.0008 mL	24.0015 mL
	5 mM	0.4800 mL	2.4002 mL	4.8003 mL
	10 mM	0.2400 mL	1.2001 mL	2.4002 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.