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β-Apo-8′-carotenal

β-Apo-8′-carotenal structure

CAS No:
1107-26-2
Formula:
C30H40O
Chemical Name:
β-Apo-8′-carotenal
Synonyms:
2,4,6,8,10,12,14,16-Heptadecaoctaenal,2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E,4E,6E,8E,10E,12E,14E,16E)-;8′-Apo-β-carotenal,all-trans-;8′-Apo-β,ψ-carotenal;8′-Apo-β-carotenal;(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-Tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16-heptadecaoctaenal;β-Apo-8′-carotenal;8′-Apo-β,ψ-caroten-8′-al;β-apo-8′-Carotenal;C.I. Food Orange 6;E 160e;C Orange 16;8′-Apo-β-caroten-8′-al;all-trans-β-Apo-8′-carotenal;β-apo-Carotenal;8′-apo-β-Caroten-8′-al;2,4,6,8,10,12,14,16-Heptadecaoctaenal,2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(all-E)-;8′-Apo-caroten-8′-al;C.I. 40820;(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-Tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-l) heptadeca-2,4,6,8,10,12,14,16-octaenal;2756-57-2;4172-46-7
Categories:
Food Additives > Coloring Agent

Description

β-Apo-8'-carotenal (Apocarotenal), a provitamin A carotenoid, is an inducer of CYPlA1 and CYPlA2 in rat. β-Apo-8'-carotenal is present in many fruits and vegetables[1].

β-Apo-8′-carotenal Basic Attributes

Molecular Weight：

416.64

Exact Mass：

416.64

EC Number：

214-171-6

Characteristics

PSA：

17.1

XLogP3：

9.82

Appearance：

suspension (oily)

Density：

0.9±0.1 g/cm3

Melting Point：

136-137 °C

Boiling Point：

575.7±19.0 °C at 760 mmHg

Flash Point：

273.8±13.8 °C

Refractive Index：

1.553

Water Solubility：

chloroform: 1 mg/mL, clear to very faintly turbid, intense red-orange

Storage Conditions：

2-8°C

Vapor Pressure：

2.95E-13mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

CD9115000

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

Drug Information

MeSH Entry Terms：

8'-apo-beta-caroten-8'-al

β-Apo-8′-carotenal Use and Manufacturing

Methods of Manufacturing

Obtained by oxidation of β-carotene with potassium permanganate.

Uses

β-Apo-8'-carotenal is an antioxidant β-carotene (C184250) derivative found in Cucumis melo melons and traditional Portuguese fruits and vegetables. Studies have shown that β-Apo-8'-carotenal decreased the in vivo AFB1-induced DNA SSB and the binding of AFB1 to liver DNA and increased in vitro AFB1 metabolism to aflatoxin M1, a less genotoxic metabolite.

Manufacturing Info：

2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E)-: ACTIVE

Use Classification：

Food Additives -> COLOUR; -> JECFA Functional Classes

Food Additive Classes：

Food Additives -> COLOUR;

Computed Properties

Molecular Weight:416.6
XLogP3:9.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:416.307915895
Monoisotopic Mass:416.307915895
Topological Polar Surface Area:17.1
Heavy Atom Count:31
Complexity:887
Undefined Bond Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Retinol