CAS No.36338-96-2,SAFFLOWER YELLOW Suppliers

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Basic Information

CAS No.:

36338-96-2

Name:

SAFFLOWER YELLOW

Article Data:

Molecular Structure:

Formula:

C43H42 O22

Molecular Weight:

910.793

Synonyms:

4-Cyclohexene-1,3-dione,6-b-D-glucopyranosyl-2-[[(3S)-3-b-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-,(2Z,6S)- (9CI); 4-Cyclohexene-1,3-dione, 6-b-D-glucopyranosyl-2-[[3-b-D-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-,[S-(R*,R*)]-; C.I. Natural Red 26; Carthamin; Carthamus; Carthamus (dye);Carthamus Red AP; Liofresh Red CR; Natural Red 26; Safflower red

EINECS:

252-981-1

Density:

1.882g/cm³

Melting Point:

228-230° (dec)

Boiling Point:

1255.2°Cat760mmHg

Flash Point:

375.5°C

Risk Codes:

36/37/38

Safety:

Risk Statements	36/37/38
Safety Statements	26-36/37/39

PSA:

425.72000

LogP:

-3.85010

Synthetic route

: (3S,3'S)-1-[5-(p-acetoxycinnamoyl)-3-C-(β-D-2'',3'',4'',6''-tetra-O-acetylglucopyranosyl)-3,4-dihydroxy-2,6-dioxo]cyclohex-4-enylidene-1'-[5'-(p-acetoxycinnamoyl)-3'-C-(β-D-2''',3''',4''',6'''-tetra-O-acetylglucosyl)-2',3',4'-trihydroxy-6'-oxo]cyclohexa-1',4'-dienylmethane

: 36338-96-2
(3S,3'S)-1-[5-(phydroxycinnamoyl)-3-C-(β-D-glucopyranosyl)-3,4-dihydroxy-2,6-dioxo]cyclohex-4-enylidene-1'-[5'-(phydroxycinnamoyl)-3'-C-(β-D-glucosyl)-2',3',4'-trihydroxy-6'-oxo]cyclohexa-1',4'-dienylmethane

Conditions

Conditions	Yield
Stage #1: (3S,3'S)-1-[5-(p-acetoxycinnamoyl)-3-C-(β-D-2'',3'',4'',6''-tetra-O-acetylglucopyranosyl)-3,4-dihydroxy-2,6-dioxo]cyclohex-4-enylidene-1'-[5'-(p-acetoxycinnamoyl)-3'-C-(β-D-2''',3''',4''',6'''-tetra-O-acetylglucosyl)-2',3',4'-trihydroxy-6'-oxo]cyclohexa-1',4'-dienylmethane With water; lithium hydroxide In methanol at 25℃; Stage #2: In methanol	30%

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Chemistry

Molecular Structure of Carthamine (CAS No.36338-96-2):

Molecular Formula: C₄₃H₄₂O₂₂
Molecular Weight: 910.7804
CAS No: 36338-96-2
H bond acceptors: 22
H bond donors: 15
Freely Rotating Bonds: 26
Polar Surface Area: 407.26 Å²
Index of Refraction: 1.859
Molar Refractivity: 217.77 cm³
Molar Volume: 483.7 cm³
Surface Tension: 149.5 dyne/cm
Density: 1.882 g/cm³
Flash Point: 375.5 °C
Enthalpy of Vaporization: 196.22 kJ/mol
Boiling Point: 1255.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
IUPAC Name: (2R,6Z)-6-[[(3Z,5S)-2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-
1-yl]methylidene]-2,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
InChI: InChI=1/C₄₃H₄₂O₂₂/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42?,43?/m1/s1
InChIKey: WLYGSPLCNKYESI-AEWOKOSBBT
Std. InChI: InChI=1S/C₄₃H₄₂O₂₂/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42?,43?/m1/s1
Std. InChIKey: WLYGSPLCNKYESI-AEWOKOSBSA-N
Product Categories: Colours, Dyes, Indicators Pigments

Uses

Carthamin is used as a dye and a food coloring. As a food additive, it is known as Natural Red 26.
Carthamin was used as a dye in ancient Egypt. It was used extensively in the past for dyeing wool for the carpet industry in European countries.

Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

Carthamine (CAS No.36338-96-2), its synonyms are Safflower Yellow ; 6-beta-D-Glucopyranosyl-2-((3-beta-D-glucopyranosyl-2,3,4-trihydroxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-oxo-1,4-cyclohexadien-1-yl)methylene)-5,6-dihydroxy-4-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-4-cyclohexene-1,3-dione .