Molecular formula
C13H18O3

SMILES
CCCCC(=O)OCC1=CC=C(C=C1)OC

Fragrance
Fruity	93.16%
Sweet	73.35%
Floral	56.92%
Berry	38.43%
Herbal	37.51%
Apricot	36.27%
Balsamic	35.5%
Cherry	32.61%
Pineapple	32.14%
Apple	31.69%

 

Flavor
Fruity	84.16%
Sweet	57.83%
Pineapple	50.39%
Balsam	48.15%
Berry	42.02%
Floral	39.08%
Apple	38.41%
Wine	35.46%
Green	35.41%
Jasmin	35.35%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.96 (neutral)

Molecular weight
222.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
299°C

Flash point

• 129.72 ˚C est.

• Anisyl n-valerate
• ANISYL VALERATE
• para-anisyl valerate
• SCHEMBL7500299
• VSOLIGQDEYVGKS-UHFFFAOYSA-N

Anisyl valerate is primarily used as a fragrance ingredient in perfumery, delivering fruity-floral notes to perfumes and cosmetic formulations. It may also function as a scent additive with a modest fixative effect in fragrance blends. In cosmetics and personal care products (creams, lotions, shampoos), it contributes aroma while not making health or efficacy claims. It is used in household and cleaning products (air fresheners, detergents) to provide a pleasant fragrance. In industrial manufacturing, it can serve as an aroma chemical intermediate for the synthesis of other anisyl esters and fragrance ingredients, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1091.61
methanol	1579.16
isopropanol	518.56
water	0.31
ethyl acetate	1232.92
n-propanol	582.02
acetone	454.74
n-butanol	477.76
acetonitrile	976.33
DMF	297.11
toluene	267.6
isobutanol	283.66
1,4-dioxane	1467.15
methyl acetate	702.37
THF	702.71
2-butanone	511.28
n-pentanol	364.55
sec-butanol	376.9
n-hexane	6.5
ethylene glycol	122.24
NMP	148.87
cyclohexane	26.53
DMSO	798.31
n-butyl acetate	350.13
n-octanol	70.75
chloroform	1713.36
n-propyl acetate	408.73
acetic acid	734.72
dichloromethane	1973.16
cyclohexanone	499.64
propylene glycol	213.08
isopropyl acetate	363.18
DMAc	430.63
2-ethoxyethanol	775.47
isopentanol	308.72
n-heptane	5.34
ethyl formate	414.47
1,2-dichloroethane	1107.53
n-hexanol	208.4
2-methoxyethanol	1053.89
isobutyl acetate	202.43
tetrachloromethane	91.85
n-pentyl acetate	133.09
transcutol	1639.22
n-heptanol	71.39
ethylbenzene	125.43
MIBK	186.56
2-propoxyethanol	444.38
tert-butanol	523.29
MTBE	341.45
2-butoxyethanol	196.33
propionic acid	385.33
o-xylene	134.71
formic acid	258.61
diethyl ether	594.79
m-xylene	126.59
p-xylene	154.69
chlorobenzene	334.4
dimethyl carbonate	145.02
n-octane	3.92
formamide	498.6
cyclopentanone	347.2
2-pentanone	350.86
anisole	316.85
cyclopentyl methyl ether	241.76
gamma-butyrolactone	488.49
1-methoxy-2-propanol	548.45
pyridine	871.53
3-pentanone	251.44
furfural	549.85
n-dodecane	5.6
diethylene glycol	378.48
diisopropyl ether	72.37
tert-amyl alcohol	366.1
acetylacetone	446.22
n-hexadecane	6.44
acetophenone	276.1
methyl propionate	428.36
isopentyl acetate	266.85
trichloroethylene	1740.13
n-nonanol	68.88
cyclohexanol	292.68
benzyl alcohol	306.68
2-ethylhexanol	102.73
isooctanol	61.8
dipropyl ether	111.22
1,2-dichlorobenzene	281.01
ethyl lactate	141.54
propylene carbonate	312.17
n-methylformamide	296.97
2-pentanol	233.73
n-pentane	5.7
1-propoxy-2-propanol	248.18
1-methoxy-2-propyl acetate	289.26
2-(2-methoxypropoxy) propanol	226.7
mesitylene	68.53
ε-caprolactone	491.29
p-cymene	54.04
epichlorohydrin	973.81
1,1,1-trichloroethane	615.15
2-aminoethanol	319.64
morpholine-4-carbaldehyde	467.68
sulfolane	383.56
2,2,4-trimethylpentane	8.58
2-methyltetrahydrofuran	474.66
n-hexyl acetate	174.65
isooctane	6.63
2-(2-butoxyethoxy)ethanol	333.1
sec-butyl acetate	241.9
tert-butyl acetate	276.83
decalin	17.93
glycerin	254.41
diglyme	706.24
acrylic acid	290.55
isopropyl myristate	69.68
n-butyric acid	615.71
acetyl acetate	488.33
di(2-ethylhexyl) phthalate	79.12
ethyl propionate	315.58
nitromethane	1104.93
1,2-diethoxyethane	462.82
benzonitrile	336.6
trioctyl phosphate	46.68
1-bromopropane	445.97
gamma-valerolactone	608.66
n-decanol	52.07
triethyl phosphate	99.17
4-methyl-2-pentanol	104.23
propionitrile	482.4
vinylene carbonate	348.57
1,1,2-trichlorotrifluoroethane	516.64
DMS	206.4
cumene	70.15
2-octanol	47.26
2-hexanone	272.74
octyl acetate	85.9
limonene	71.97
1,2-dimethoxyethane	914.7
ethyl orthosilicate	97.64
tributyl phosphate	70.87
diacetone alcohol	279.44
N,N-dimethylaniline	151.42
acrylonitrile	572.33
aniline	341.52
1,3-propanediol	530.85
bromobenzene	356.12
dibromomethane	1077.65
1,1,2,2-tetrachloroethane	1268.21
2-methyl-cyclohexyl acetate	148.38
tetrabutyl urea	87.13
diisobutyl methanol	59.72
2-phenylethanol	213.96
styrene	193.07
dioctyl adipate	122.87
dimethyl sulfate	163.94
ethyl butyrate	236.24
methyl lactate	162.69
butyl lactate	113.8
diethyl carbonate	188.11
propanediol butyl ether	179.59
triethyl orthoformate	150.17
p-tert-butyltoluene	50.34
methyl 4-tert-butylbenzoate	162.1
morpholine	1523.34
tert-butylamine	233.66
n-dodecanol	41.22
dimethoxymethane	461.39
ethylene carbonate	309.78
cyrene	174.75
2-ethoxyethyl acetate	280.01
2-ethylhexyl acetate	190.81
1,2,4-trichlorobenzene	313.36
4-methylpyridine	634.44
dibutyl ether	117.64
2,6-dimethyl-4-heptanol	59.72
DEF	360.68
dimethyl isosorbide	311.81
tetrachloroethylene	712.73
eugenol	181.21
triacetin	216.85
span 80	162.37
1,4-butanediol	200.11
1,1-dichloroethane	849.94
2-methyl-1-pentanol	260.17
methyl formate	230.26
2-methyl-1-butanol	269.29
n-decane	8.1
butyronitrile	498.63
3,7-dimethyl-1-octanol	85.1
1-chlorooctane	48.51
1-chlorotetradecane	22.01
n-nonane	6.72
undecane	6.5
tert-butylcyclohexane	15.27
cyclooctane	6.34
cyclopentanol	215.16
tetrahydropyran	917.94
tert-amyl methyl ether	202.38
2,5,8-trioxanonane	477.54
1-hexene	70.96
2-isopropoxyethanol	412.04
2,2,2-trifluoroethanol	156.1
methyl butyrate	429.27

Scent© AI