Molecular formula
C81H125N22O39P

SMILES
CC(C)CC(C(=NC(CCC(=N)O)C(=NC(CC(=O)O)C(=NC(CCCCN)C(=O)O)O)O)O)N=C(C(CCC(=O)O)N=C(C(CC(=O)O)N=C(C(CCC(=O)O)N=C(C(C(C)O)N=C(C(CCC(=N)O)N=C(C(CCC(=N)O)N=C(C(CCC(=N)O)N=C(C(CCC(=O)O)N=C(C(CCC(=O)O)N=C(C(COP(=O)(O)O)N=C(C(CCC(=N)O)N=C(C(CC1=CC=CC=C1)N)O)O)O)O)O)O)O)O)O)O)O)O

Fragrance
Odorless	64.77%
Savory	42.75%
Meaty	36.53%
Cooling	24.23%
Cooked	21.68%
Roasted	18.51%
Milky	16.76%
Sulfurous	16.48%
Fishy	16.22%
Sweet	15.83%

 

Flavor
Odorless	63.39%
Bitter	57.29%
Bland	36.25%
Mild	30.37%
Very mild	26.41%
Sweet-like	23.47%
Yeast	21.66%
Faint	20.11%
Nitrile	19.8%
Taco	18.74%

 

Odor impact est.
High

XLogP3-AA
-7.1

pKa est.
1.46 (strong acid)

Molecular weight
2062.0 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
460°C

Flash point

• 504.33 ˚C est.

• Casein
• Casein from bovine milk
• MFCD00081481
• Casein - technical grade
• BECPQYXYKAMYBN-UHFFFAOYSA-N
• Bovine beta-casein monophosphopeptide
• AKOS032949825
• FC45061
• FC161384
• E80592
• Q193970

Casein from bovine milk is a versatile protein used in food processing as an emulsifier, thickener, binder, and protein supplement in processed dairy and bakery products. It also serves as a natural binder and film-forming agent in coatings, inks, and adhesives for wood, paper, and packaging applications. Historically, casein has been used to make thermoplastic casein plastics for specialty applications. In the paper and packaging sector, it acts as a coating and binder to improve finish and strength. In agriculture, it functions as a protein source in animal feeds. In cosmetics and personal care, casein is explored as a film-forming or conditioning protein in some formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1.47
methanol	6.96
isopropanol	0.51
water	4.9
ethyl acetate	0.55
n-propanol	0.85
acetone	0.99
n-butanol	0.39
acetonitrile	0.53
DMF	30.16
toluene	0.11
isobutanol	0.3
1,4-dioxane	1.53
methyl acetate	0.87
THF	2.94
2-butanone	0.74
n-pentanol	0.27
sec-butanol	0.38
n-hexane	0.03
ethylene glycol	7.4
NMP	42.67
cyclohexane	0.03
DMSO	27.41
n-butyl acetate	0.29
n-octanol	0.18
chloroform	0.45
n-propyl acetate	0.36
acetic acid	9.47
dichloromethane	0.66
cyclohexanone	0.9
propylene glycol	5.56
isopropyl acetate	0.29
DMAc	26.75
2-ethoxyethanol	4.26
isopentanol	0.18
n-heptane	0.03
ethyl formate	1.1
1,2-dichloroethane	0.41
n-hexanol	0.18
2-methoxyethanol	14.44
isobutyl acetate	0.12
tetrachloromethane	0.14
n-pentyl acetate	0.28
transcutol	6.33
n-heptanol	0.27
ethylbenzene	0.07
MIBK	0.17
2-propoxyethanol	3.53
tert-butanol	0.3
MTBE	0.15
2-butoxyethanol	2.67
propionic acid	2.43
o-xylene	0.12
formic acid	42.21
diethyl ether	0.29
m-xylene	0.07
p-xylene	0.1
chlorobenzene	0.07
dimethyl carbonate	3.26
n-octane	0.02
formamide	35.34
cyclopentanone	2.75
2-pentanone	0.46
anisole	0.28
cyclopentyl methyl ether	0.69
gamma-butyrolactone	6.1
1-methoxy-2-propanol	7.01
pyridine	1.23
3-pentanone	0.55
furfural	7.63
n-dodecane	0.01
diethylene glycol	7.47
diisopropyl ether	0.05
tert-amyl alcohol	0.32
acetylacetone	1.15
n-hexadecane	0.01
acetophenone	0.51
methyl propionate	1.4
isopentyl acetate	0.17
trichloroethylene	0.81
n-nonanol	0.2
cyclohexanol	0.29
benzyl alcohol	0.43
2-ethylhexanol	0.1
isooctanol	0.14
dipropyl ether	0.35
1,2-dichlorobenzene	0.11
ethyl lactate	1.44
propylene carbonate	2.22
n-methylformamide	13.14
2-pentanol	0.2
n-pentane	0.03
1-propoxy-2-propanol	2.09
1-methoxy-2-propyl acetate	1.08
2-(2-methoxypropoxy) propanol	2.11
mesitylene	0.04
ε-caprolactone	1.34
p-cymene	0.04
epichlorohydrin	2.58
1,1,1-trichloroethane	0.13
2-aminoethanol	6.42
morpholine-4-carbaldehyde	20.79
sulfolane	19.77
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	0.79
n-hexyl acetate	0.29
isooctane	0.0
2-(2-butoxyethoxy)ethanol	3.01
sec-butyl acetate	0.19
tert-butyl acetate	0.26
decalin	0.01
glycerin	27.36
diglyme	5.87
acrylic acid	5.24
isopropyl myristate	0.09
n-butyric acid	1.37
acetyl acetate	0.53
di(2-ethylhexyl) phthalate	0.23
ethyl propionate	0.57
nitromethane	12.73
1,2-diethoxyethane	0.57
benzonitrile	0.18
trioctyl phosphate	0.17
1-bromopropane	0.14
gamma-valerolactone	9.6
n-decanol	0.13
triethyl phosphate	0.47
4-methyl-2-pentanol	0.07
propionitrile	0.35
vinylene carbonate	2.19
1,1,2-trichlorotrifluoroethane	11.67
DMS	0.88
cumene	0.05
2-octanol	0.13
2-hexanone	0.28
octyl acetate	0.19
limonene	0.06
1,2-dimethoxyethane	4.09
ethyl orthosilicate	0.38
tributyl phosphate	0.19
diacetone alcohol	1.12
N,N-dimethylaniline	0.42
acrylonitrile	0.89
aniline	0.41
1,3-propanediol	3.9
bromobenzene	0.06
dibromomethane	0.28
1,1,2,2-tetrachloroethane	0.84
2-methyl-cyclohexyl acetate	0.23
tetrabutyl urea	0.48
diisobutyl methanol	0.05
2-phenylethanol	0.26
styrene	0.08
dioctyl adipate	0.22
dimethyl sulfate	12.62
ethyl butyrate	0.4
methyl lactate	6.32
butyl lactate	0.97
diethyl carbonate	0.34
propanediol butyl ether	2.64
triethyl orthoformate	0.55
p-tert-butyltoluene	0.04
methyl 4-tert-butylbenzoate	1.0
morpholine	2.89
tert-butylamine	0.11
n-dodecanol	0.09
dimethoxymethane	7.56
ethylene carbonate	1.28
cyrene	3.77
2-ethoxyethyl acetate	0.8
2-ethylhexyl acetate	0.14
1,2,4-trichlorobenzene	0.19
4-methylpyridine	0.63
dibutyl ether	0.15
2,6-dimethyl-4-heptanol	0.05
DEF	2.53
dimethyl isosorbide	3.24
tetrachloroethylene	0.75
eugenol	1.32
triacetin	1.06
span 80	1.54
1,4-butanediol	1.4
1,1-dichloroethane	0.15
2-methyl-1-pentanol	0.14
methyl formate	9.08
2-methyl-1-butanol	0.23
n-decane	0.02
butyronitrile	0.21
3,7-dimethyl-1-octanol	0.07
1-chlorooctane	0.06
1-chlorotetradecane	0.02
n-nonane	0.02
undecane	0.01
tert-butylcyclohexane	0.01
cyclooctane	0.02
cyclopentanol	0.68
tetrahydropyran	0.48
tert-amyl methyl ether	0.21
2,5,8-trioxanonane	3.97
1-hexene	0.07
2-isopropoxyethanol	1.29
2,2,2-trifluoroethanol	9.09
methyl butyrate	0.73

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