Molecular formula
C14H20O2

SMILES
CCCCCOC(=O)C(C)C1=CC=CC=C1

Fragrance
Fruity	87.33%
Sweet	80.44%
Floral	73.76%
Balsamic	56.6%
Honey	51.63%
Rose	51.18%
Green	44.89%
Apricot	40.73%
Tropical	39.58%
Spicy	36.69%

 

Flavor
Green	78.0%
Floral	61.56%
Waxy	59.2%
Fruity	58.43%
Sweet	49.88%
Rose	49.51%
Tropical	45.24%
Honey	36.82%
Leaf	35.12%
Fresh	30.83%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
7.45 (neutral)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
272°C

Flash point

• 129.03 ˚C est.

• Hydratropic acid, pentyl ester
• SCHEMBL2291006
• HDVFGKKFXKECPD-UHFFFAOYSA-N

Hydratropic acid, pentyl ester is used primarily as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend scent notes. It may be used as a fragrance component in cosmetics and personal care products. It may be employed in household products to impart odor as a fragrance additive. It often serves as an intermediate in the synthesis of other fragrance compounds. In polymers and plastics, coatings, and inks, it may function as a processing aid, plasticizer, or fragrance-related additive to influence formulation and odor release. It may also be used in adhesives or cleaning formulations to contribute scent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3226.12
methanol	4865.16
isopropanol	1791.51
water	0.53
ethyl acetate	3757.89
n-propanol	2378.06
acetone	4411.61
n-butanol	2151.54
acetonitrile	4735.89
DMF	4644.85
toluene	1321.51
isobutanol	1662.46
1,4-dioxane	3465.07
methyl acetate	2658.23
THF	2315.69
2-butanone	2899.68
n-pentanol	1298.29
sec-butanol	1499.89
n-hexane	196.06
ethylene glycol	235.48
NMP	2437.66
cyclohexane	381.33
DMSO	3180.14
n-butyl acetate	2558.81
n-octanol	403.42
chloroform	7754.94
n-propyl acetate	2082.59
acetic acid	2125.78
dichloromethane	8721.25
cyclohexanone	3765.43
propylene glycol	323.41
isopropyl acetate	1929.47
DMAc	3043.49
2-ethoxyethanol	1418.06
isopentanol	1734.12
n-heptane	61.3
ethyl formate	1780.83
1,2-dichloroethane	6690.25
n-hexanol	1244.05
2-methoxyethanol	2317.6
isobutyl acetate	1098.96
tetrachloromethane	682.0
n-pentyl acetate	1034.25
transcutol	4985.3
n-heptanol	418.39
ethylbenzene	662.44
MIBK	1241.37
2-propoxyethanol	1704.28
tert-butanol	1668.99
MTBE	2279.91
2-butoxyethanol	824.98
propionic acid	1556.63
o-xylene	655.55
formic acid	553.69
diethyl ether	3435.29
m-xylene	697.45
p-xylene	815.37
chlorobenzene	2370.93
dimethyl carbonate	770.5
n-octane	32.6
formamide	1233.18
cyclopentanone	2866.63
2-pentanone	2537.33
anisole	1466.52
cyclopentyl methyl ether	1450.93
gamma-butyrolactone	2965.51
1-methoxy-2-propanol	1449.11
pyridine	3720.17
3-pentanone	1856.79
furfural	2439.92
n-dodecane	29.68
diethylene glycol	917.65
diisopropyl ether	610.71
tert-amyl alcohol	1405.49
acetylacetone	2208.78
n-hexadecane	36.22
acetophenone	1265.82
methyl propionate	2073.6
isopentyl acetate	1845.17
trichloroethylene	9308.83
n-nonanol	351.55
cyclohexanol	1499.22
benzyl alcohol	944.16
2-ethylhexanol	671.63
isooctanol	355.37
dipropyl ether	842.33
1,2-dichlorobenzene	1938.87
ethyl lactate	496.98
propylene carbonate	1769.74
n-methylformamide	2152.52
2-pentanol	1166.89
n-pentane	142.72
1-propoxy-2-propanol	1100.64
1-methoxy-2-propyl acetate	1398.52
2-(2-methoxypropoxy) propanol	681.98
mesitylene	391.99
ε-caprolactone	2850.65
p-cymene	276.69
epichlorohydrin	4411.56
1,1,1-trichloroethane	3857.78
2-aminoethanol	735.18
morpholine-4-carbaldehyde	2232.86
sulfolane	2654.95
2,2,4-trimethylpentane	84.72
2-methyltetrahydrofuran	2224.73
n-hexyl acetate	1172.64
isooctane	63.5
2-(2-butoxyethoxy)ethanol	1061.02
sec-butyl acetate	1201.73
tert-butyl acetate	1449.46
decalin	162.97
glycerin	414.19
diglyme	2210.73
acrylic acid	1184.24
isopropyl myristate	368.06
n-butyric acid	2751.85
acetyl acetate	1664.17
di(2-ethylhexyl) phthalate	305.34
ethyl propionate	1549.89
nitromethane	4186.39
1,2-diethoxyethane	2204.91
benzonitrile	1601.53
trioctyl phosphate	218.89
1-bromopropane	3129.88
gamma-valerolactone	3301.24
n-decanol	238.77
triethyl phosphate	391.74
4-methyl-2-pentanol	593.68
propionitrile	2750.87
vinylene carbonate	1824.84
1,1,2-trichlorotrifluoroethane	2027.53
DMS	974.91
cumene	379.34
2-octanol	294.66
2-hexanone	1738.73
octyl acetate	476.31
limonene	448.35
1,2-dimethoxyethane	2868.78
ethyl orthosilicate	383.89
tributyl phosphate	324.5
diacetone alcohol	1105.64
N,N-dimethylaniline	726.86
acrylonitrile	3043.0
aniline	1517.57
1,3-propanediol	1201.79
bromobenzene	2638.79
dibromomethane	5406.19
1,1,2,2-tetrachloroethane	6824.82
2-methyl-cyclohexyl acetate	697.38
tetrabutyl urea	417.03
diisobutyl methanol	311.17
2-phenylethanol	897.51
styrene	1089.8
dioctyl adipate	487.89
dimethyl sulfate	919.82
ethyl butyrate	1299.39
methyl lactate	568.64
butyl lactate	640.52
diethyl carbonate	787.0
propanediol butyl ether	637.23
triethyl orthoformate	655.74
p-tert-butyltoluene	248.85
methyl 4-tert-butylbenzoate	641.44
morpholine	4027.31
tert-butylamine	1122.06
n-dodecanol	174.3
dimethoxymethane	2240.4
ethylene carbonate	1626.14
cyrene	557.38
2-ethoxyethyl acetate	1388.12
2-ethylhexyl acetate	1338.51
1,2,4-trichlorobenzene	1895.59
4-methylpyridine	3579.26
dibutyl ether	798.49
2,6-dimethyl-4-heptanol	311.17
DEF	3212.88
dimethyl isosorbide	1053.28
tetrachloroethylene	4046.83
eugenol	701.86
triacetin	855.22
span 80	559.65
1,4-butanediol	444.78
1,1-dichloroethane	5233.01
2-methyl-1-pentanol	1177.19
methyl formate	1401.92
2-methyl-1-butanol	1661.37
n-decane	50.55
butyronitrile	2954.3
3,7-dimethyl-1-octanol	445.57
1-chlorooctane	356.83
1-chlorotetradecane	119.33
n-nonane	46.48
undecane	36.75
tert-butylcyclohexane	131.38
cyclooctane	79.34
cyclopentanol	1104.39
tetrahydropyran	3697.13
tert-amyl methyl ether	1305.42
2,5,8-trioxanonane	1225.31
1-hexene	992.83
2-isopropoxyethanol	961.27
2,2,2-trifluoroethanol	572.57
methyl butyrate	2463.11

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