Molecular formula
C12H16O2

SMILES
CCC(C)C1=CC=C(C=C1)OC(=O)C

Fragrance
Herbal	59.37%
Spicy	54.29%
Woody	54.11%
Floral	51.34%
Balsamic	46.19%
Fruity	41.59%
Phenolic	41.35%
Sweet	39.76%
Animal	37.06%
Fresh	34.03%

 

Flavor
Woody	72.26%
Herbal	56.5%
Sweet	53.75%
Floral	46.14%
Spicy	42.91%
Spice	39.49%
Clove	31.69%
Fresh	30.83%
Warm	28.47%
Balsam	26.77%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
9.19 (weak base)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
254°C

Flash point

• 113.7 ˚C est.

• p-Sec-butylphenyl acetate
• (4-butan-2-ylphenyl) acetate
• 4-Sec-butylphenyl acetate #
• SCHEMBL111718
• CECFXTLUSUSYDG-UHFFFAOYSA-
• CECFXTLUSUSYDG-UHFFFAOYSA-N
• InChI=1/C12H16O2/c1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h5-9H,4H2,1-3H3

p-Sec-butylphenyl acetate is used as an aroma ingredient in the fragrance industry and can serve as an intermediate in the synthesis of other fragrance compounds; in cosmetics and personal care it is used as an aroma component contributing to the scent of products such as creams, cleansers, and perfumes; in household and cleaning products it is added to improve fragrance and consumer experience; it may be evaluated for use as a flavor/aroma constituent in foods where permitted, or as an intermediate for synthesizing other aroma compounds in food processing contexts; in industrial manufacturing it can function as an intermediate for the synthesis of other aromatic compounds; it may also be considered as a processing aid or additive for polymers/plastics in specialized applications, subject to regulation and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	453.56
methanol	475.32
isopropanol	264.17
water	0.22
ethyl acetate	557.29
n-propanol	344.97
acetone	1047.88
n-butanol	306.7
acetonitrile	424.16
DMF	2519.64
toluene	188.14
isobutanol	234.26
1,4-dioxane	849.67
methyl acetate	599.69
THF	1525.31
2-butanone	766.52
n-pentanol	236.21
sec-butanol	247.71
n-hexane	30.83
ethylene glycol	133.14
NMP	1573.69
cyclohexane	13.54
DMSO	2619.77
n-butyl acetate	400.38
n-octanol	64.76
chloroform	1228.32
n-propyl acetate	279.55
acetic acid	340.46
dichloromethane	1349.7
cyclohexanone	791.29
propylene glycol	212.88
isopropyl acetate	348.11
DMAc	1776.77
2-ethoxyethanol	471.25
isopentanol	298.31
n-heptane	6.27
ethyl formate	226.41
1,2-dichloroethane	1234.93
n-hexanol	219.23
2-methoxyethanol	935.88
isobutyl acetate	203.62
tetrachloromethane	97.63
n-pentyl acetate	161.53
transcutol	2595.13
n-heptanol	69.86
ethylbenzene	106.38
MIBK	349.72
2-propoxyethanol	590.75
tert-butanol	444.98
MTBE	639.2
2-butoxyethanol	205.99
propionic acid	305.61
o-xylene	117.04
formic acid	148.68
diethyl ether	558.25
m-xylene	142.42
p-xylene	118.92
chlorobenzene	378.71
dimethyl carbonate	339.72
n-octane	3.33
formamide	373.17
cyclopentanone	1288.23
2-pentanone	602.88
anisole	414.61
cyclopentyl methyl ether	665.86
gamma-butyrolactone	1160.64
1-methoxy-2-propanol	748.58
pyridine	582.56
3-pentanone	461.3
furfural	839.93
n-dodecane	3.35
diethylene glycol	477.21
diisopropyl ether	133.86
tert-amyl alcohol	372.09
acetylacetone	762.47
n-hexadecane	4.13
acetophenone	309.51
methyl propionate	602.54
isopentyl acetate	381.41
trichloroethylene	1887.9
n-nonanol	61.02
cyclohexanol	219.01
benzyl alcohol	250.51
2-ethylhexanol	119.68
isooctanol	63.35
dipropyl ether	146.66
1,2-dichlorobenzene	358.03
ethyl lactate	144.56
propylene carbonate	487.96
n-methylformamide	701.57
2-pentanol	199.75
n-pentane	13.44
1-propoxy-2-propanol	362.64
1-methoxy-2-propyl acetate	563.3
2-(2-methoxypropoxy) propanol	358.06
mesitylene	82.07
ε-caprolactone	617.38
p-cymene	56.63
epichlorohydrin	1980.39
1,1,1-trichloroethane	686.48
2-aminoethanol	281.15
morpholine-4-carbaldehyde	1374.08
sulfolane	1793.01
2,2,4-trimethylpentane	15.97
2-methyltetrahydrofuran	1005.35
n-hexyl acetate	288.24
isooctane	12.9
2-(2-butoxyethoxy)ethanol	509.96
sec-butyl acetate	224.69
tert-butyl acetate	501.99
decalin	21.47
glycerin	307.13
diglyme	927.49
acrylic acid	274.93
isopropyl myristate	96.21
n-butyric acid	356.05
acetyl acetate	309.86
di(2-ethylhexyl) phthalate	111.5
ethyl propionate	282.87
nitromethane	1068.44
1,2-diethoxyethane	575.43
benzonitrile	284.03
trioctyl phosphate	68.68
1-bromopropane	452.99
gamma-valerolactone	1394.7
n-decanol	45.56
triethyl phosphate	119.52
4-methyl-2-pentanol	131.67
propionitrile	337.43
vinylene carbonate	401.63
1,1,2-trichlorotrifluoroethane	887.46
DMS	417.43
cumene	75.11
2-octanol	49.8
2-hexanone	376.51
octyl acetate	124.45
limonene	85.57
1,2-dimethoxyethane	853.48
ethyl orthosilicate	113.55
tributyl phosphate	118.11
diacetone alcohol	549.29
N,N-dimethylaniline	243.04
acrylonitrile	459.95
aniline	346.74
1,3-propanediol	347.6
bromobenzene	419.29
dibromomethane	767.95
1,1,2,2-tetrachloroethane	1492.92
2-methyl-cyclohexyl acetate	209.85
tetrabutyl urea	144.24
diisobutyl methanol	71.03
2-phenylethanol	245.12
styrene	154.44
dioctyl adipate	170.09
dimethyl sulfate	730.72
ethyl butyrate	208.55
methyl lactate	292.62
butyl lactate	168.33
diethyl carbonate	151.19
propanediol butyl ether	263.94
triethyl orthoformate	150.82
p-tert-butyltoluene	63.66
methyl 4-tert-butylbenzoate	232.63
morpholine	1264.49
tert-butylamine	231.07
n-dodecanol	34.63
dimethoxymethane	1132.95
ethylene carbonate	332.88
cyrene	332.02
2-ethoxyethyl acetate	396.6
2-ethylhexyl acetate	292.1
1,2,4-trichlorobenzene	455.71
4-methylpyridine	748.45
dibutyl ether	143.79
2,6-dimethyl-4-heptanol	71.03
DEF	798.97
dimethyl isosorbide	633.72
tetrachloroethylene	643.71
eugenol	244.54
triacetin	315.42
span 80	245.4
1,4-butanediol	139.03
1,1-dichloroethane	861.33
2-methyl-1-pentanol	239.79
methyl formate	410.16
2-methyl-1-butanol	281.93
n-decane	5.5
butyronitrile	305.07
3,7-dimethyl-1-octanol	99.55
1-chlorooctane	49.73
1-chlorotetradecane	19.77
n-nonane	5.03
undecane	4.17
tert-butylcyclohexane	26.18
cyclooctane	5.73
cyclopentanol	271.71
tetrahydropyran	695.69
tert-amyl methyl ether	427.84
2,5,8-trioxanonane	614.56
1-hexene	153.96
2-isopropoxyethanol	334.64
2,2,2-trifluoroethanol	149.42
methyl butyrate	360.53

Scent© AI