Molecular formula
C18H27NO3

SMILES
CC(CCC=C(C)C)CC=O.COC(=O)C1=CC=CC=C1N

Fragrance
Green	81.95%
Floral	79.98%
Citrus	78.31%
Fresh	69.04%
Aldehydic	68.4%
Sweet	61.76%
Waxy	59.46%
Rose	57.26%
Lemon	54.65%
Melon	45.53%

 

Flavor
Floral	77.73%
Citrus	73.01%
Sweet	69.29%
Waxy	64.32%
Green	59.37%
Rose	57.84%
Aldehydic	52.95%
Lemon	51.13%
Herbal	47.67%
Fresh	47.52%

 

Odor impact est.
High

pKa est.
8.58 (weak base)

Molecular weight
305.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
202°C

Flash point

• 79.16 ˚C est.

• SCHEMBL20471526

3,7-Dimethyloct-6-enal;methyl 2-aminobenzoate is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing green and fruity notes to aroma profiles; methyl 2-aminobenzoate (methyl anthranilate) is widely used as a grape-flavoring agent in foods and beverages; both components can function as odorants in household products such as air fresheners and cleaners, and are commonly added to industrial formulations as aroma additives for paints, coatings, and inks; they may also be considered precursors or components in fragrance synthesis and in polymer or plastics formulations; subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1535.18
methanol	1241.46
isopropanol	1265.05
water	0.71
ethyl acetate	664.25
n-propanol	1071.1
acetone	786.79
n-butanol	1145.73
acetonitrile	661.53
DMF	454.8
toluene	313.79
isobutanol	711.92
1,4-dioxane	1324.5
methyl acetate	483.07
THF	1525.92
2-butanone	641.64
n-pentanol	654.0
sec-butanol	868.6
n-hexane	314.48
ethylene glycol	127.97
NMP	384.46
cyclohexane	375.72
DMSO	446.22
n-butyl acetate	695.65
n-octanol	308.05
chloroform	1601.94
n-propyl acetate	401.84
acetic acid	615.15
dichloromethane	1004.5
cyclohexanone	862.9
propylene glycol	300.82
isopropyl acetate	369.73
DMAc	317.65
2-ethoxyethanol	537.96
isopentanol	804.72
n-heptane	222.71
ethyl formate	362.89
1,2-dichloroethane	561.77
n-hexanol	1073.92
2-methoxyethanol	868.44
isobutyl acetate	273.16
tetrachloromethane	302.95
n-pentyl acetate	310.79
transcutol	1808.0
n-heptanol	342.54
ethylbenzene	184.97
MIBK	326.93
2-propoxyethanol	931.07
tert-butanol	1301.99
MTBE	811.44
2-butoxyethanol	439.55
propionic acid	482.0
o-xylene	184.64
formic acid	141.22
diethyl ether	913.85
m-xylene	229.93
p-xylene	230.04
chlorobenzene	358.15
dimethyl carbonate	77.44
n-octane	59.62
formamide	147.7
cyclopentanone	687.41
2-pentanone	592.73
anisole	307.64
cyclopentyl methyl ether	684.34
gamma-butyrolactone	629.68
1-methoxy-2-propanol	693.27
pyridine	747.39
3-pentanone	327.96
furfural	569.71
n-dodecane	33.56
diethylene glycol	439.27
diisopropyl ether	236.29
tert-amyl alcohol	786.0
acetylacetone	389.36
n-hexadecane	37.91
acetophenone	246.23
methyl propionate	320.22
isopentyl acetate	580.25
trichloroethylene	1030.39
n-nonanol	262.15
cyclohexanol	821.27
benzyl alcohol	280.76
2-ethylhexanol	541.35
isooctanol	259.52
dipropyl ether	641.87
1,2-dichlorobenzene	286.66
ethyl lactate	161.65
propylene carbonate	414.75
n-methylformamide	272.68
2-pentanol	721.74
n-pentane	246.99
1-propoxy-2-propanol	768.16
1-methoxy-2-propyl acetate	483.09
2-(2-methoxypropoxy) propanol	371.91
mesitylene	149.85
ε-caprolactone	704.71
p-cymene	165.12
epichlorohydrin	775.7
1,1,1-trichloroethane	729.34
2-aminoethanol	377.11
morpholine-4-carbaldehyde	575.86
sulfolane	515.14
2,2,4-trimethylpentane	76.88
2-methyltetrahydrofuran	1211.66
n-hexyl acetate	449.81
isooctane	76.8
2-(2-butoxyethoxy)ethanol	562.1
sec-butyl acetate	281.33
tert-butyl acetate	386.94
decalin	108.72
glycerin	270.0
diglyme	887.8
acrylic acid	305.64
isopropyl myristate	171.68
n-butyric acid	908.5
acetyl acetate	280.95
di(2-ethylhexyl) phthalate	158.42
ethyl propionate	291.7
nitromethane	527.87
1,2-diethoxyethane	626.3
benzonitrile	418.75
trioctyl phosphate	114.64
1-bromopropane	583.22
gamma-valerolactone	910.52
n-decanol	188.66
triethyl phosphate	151.45
4-methyl-2-pentanol	350.35
propionitrile	579.66
vinylene carbonate	363.13
1,1,2-trichlorotrifluoroethane	528.59
DMS	214.78
cumene	134.96
2-octanol	222.49
2-hexanone	468.17
octyl acetate	203.24
limonene	297.71
1,2-dimethoxyethane	824.3
ethyl orthosilicate	165.19
tributyl phosphate	148.74
diacetone alcohol	409.82
N,N-dimethylaniline	195.0
acrylonitrile	468.5
aniline	402.02
1,3-propanediol	564.76
bromobenzene	350.1
dibromomethane	823.13
1,1,2,2-tetrachloroethane	874.19
2-methyl-cyclohexyl acetate	318.22
tetrabutyl urea	167.66
diisobutyl methanol	296.35
2-phenylethanol	364.49
styrene	223.08
dioctyl adipate	230.36
dimethyl sulfate	95.93
ethyl butyrate	434.09
methyl lactate	153.73
butyl lactate	245.06
diethyl carbonate	248.63
propanediol butyl ether	404.63
triethyl orthoformate	307.63
p-tert-butyltoluene	166.03
methyl 4-tert-butylbenzoate	244.11
morpholine	1651.37
tert-butylamine	906.89
n-dodecanol	141.28
dimethoxymethane	361.2
ethylene carbonate	336.29
cyrene	245.58
2-ethoxyethyl acetate	360.02
2-ethylhexyl acetate	444.94
1,2,4-trichlorobenzene	323.24
4-methylpyridine	679.89
dibutyl ether	421.19
2,6-dimethyl-4-heptanol	296.35
DEF	416.47
dimethyl isosorbide	512.53
tetrachloroethylene	569.63
eugenol	243.71
triacetin	329.36
span 80	398.61
1,4-butanediol	197.97
1,1-dichloroethane	795.23
2-methyl-1-pentanol	447.7
methyl formate	169.01
2-methyl-1-butanol	652.76
n-decane	65.24
butyronitrile	830.95
3,7-dimethyl-1-octanol	316.49
1-chlorooctane	200.41
1-chlorotetradecane	73.97
n-nonane	72.07
undecane	44.6
tert-butylcyclohexane	104.23
cyclooctane	104.77
cyclopentanol	653.5
tetrahydropyran	1675.57
tert-amyl methyl ether	472.5
2,5,8-trioxanonane	546.47
1-hexene	690.79
2-isopropoxyethanol	376.67
2,2,2-trifluoroethanol	122.22
methyl butyrate	408.72

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