Structure of beta-Carotene (CAS NO.7235-40-7):

Empirical Formula: C40H56
Molecular Weight: 536.8726g/mol
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
EINECS: 230-636-6
Index of Refraction: 1.565
Molar Refractivity: 185.93 cm3
Molar Volume: 570.1 cm3
Polarizability: 73.71×10-24cm3
Surface Tension: 36.3 dyne/cm
Density: 0.941 g/cm3
Flash Point: 346 °C
Enthalpy of Vaporization: 92.93 kJ/mol
Melting Point: 176-184 °C (dec.)
Boiling Point: 654.7 °C at 760 mmHg
Vapour Pressure: 2.71E-16 mmHg at 25°C
Solubility hexane: 100 μg/mL, soluble
Stability: Stable, but sensitive to air, heat and light. Store at -20C under nitrogen. Pyrophoric - may ignite spontaneously in air at room temperature.
Product Categories: Organics;Antioxidant;Biochemistry;Vitamins;Vitamins and derivatives;Intermediates & Fine Chemicals;Pharmaceuticals;Retinoids;Nutraceuticals;Vitamin Ingredients;Nutritional Ingredients
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
Isomeric 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/C2=C(CCCC2(C)
C)C)\C)\C)/C)/C
InChI: InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N
beta-Carotene (CAS NO.7235-40-7) is used for Vitamin A precursor. Ultraviolet screen.
RTECS FI0329500
Hazard Codes of beta-Carotene (CAS NO.7235-40-7):
Xn
Risk Statements: 44-36/37/38-20/21/22
R44:Risk of explosion if heated under confinement.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 7-15-18-36-26
S7:Keep container tightly closed.
S15:Keep away from heat.
S18:Handle and open container with care.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1
RTECS: FI0329500
F: 1-8-10-16
Hazardous Substances Data: 7235-40-7(Hazardous Substances Data)
beta-Carotene , its cas register number is 7235-40-7. It also can be called (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene) ; Betacaroteno ; Betacarotenum ;
Carotaben ; KPMK ; Karotin ; Natural Yellow 26 ; Provatene ; Provitamin A ; Serlabo ; Solatene ; Solatene (caps) ; Zlut prirodni 26 ; all-trans-beta-Carotene ; beta-Carotene, all-trans- ; trans-B-Carotene . beta-Carotene (CAS NO.7235-40-7) is an organic compound and classified as a terpenoid. It is a strongly-coloured red-orange pigment abundant in plants and fruits.
