Molecular formula
C19H32O2

SMILES
CC(C)C(=O)OC(C)(CC/C=C(/C)\CCC=C(C)C)C=C

Fragrance
Floral	76.66%
Sweet	73.31%
Fruity	68.01%
Woody	59.39%
Citrus	58.52%
Rose	54.33%
Green	53.71%
Bergamot	47.53%
Tropical	46.72%
Waxy	45.26%

 

Flavor
Fruity	60.86%
Bergamot	55.07%
Woody	54.3%
Sweet	52.36%
Green	49.18%
Floral	44.89%
Lavender	43.21%
Citrus	41.29%
Rose	41.13%
Herbal	38.42%

 

Odor impact est.
Medium

XLogP3-AA
6.2

pKa est.
7.89 (neutral)

Molecular weight
292.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
305°C

Flash point

• 137.92 ˚C est.

• Nerolidol isobutyrate
• SCHEMBL3505810
• TXLYSYOKEBFFAC-LGMDPLHJSA-N
• (4E)-1,5,9-Trimethyl-1-vinyl-4,8-decadienyl 2-methylpropanoate #

Nerolidol isobutyrate is primarily used in fragrance and personal care sectors, serving as a fragrance ingredient and fixative in perfumes, cosmetics, and hair or skincare products; it is also used in household and cleaning products to contribute and retain aroma; in coatings, varnishes, and inks, this ester can function as a fragrance additive to provide a lasting scent; it may act as an intermediate in fragrance synthesis and formulation work; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	689.75
methanol	347.43
isopropanol	721.33
water	0.06
ethyl acetate	1539.15
n-propanol	724.45
acetone	650.35
n-butanol	892.03
acetonitrile	309.21
DMF	514.72
toluene	1146.61
isobutanol	720.71
1,4-dioxane	1463.6
methyl acetate	778.3
THF	2190.55
2-butanone	1151.5
n-pentanol	950.35
sec-butanol	1252.2
n-hexane	664.25
ethylene glycol	12.42
NMP	693.86
cyclohexane	659.72
DMSO	319.69
n-butyl acetate	1666.78
n-octanol	701.87
chloroform	2530.01
n-propyl acetate	1119.17
acetic acid	263.0
dichloromethane	2093.88
cyclohexanone	1616.18
propylene glycol	68.24
isopropyl acetate	1254.74
DMAc	1129.92
2-ethoxyethanol	685.19
isopentanol	1087.15
n-heptane	316.62
ethyl formate	398.9
1,2-dichloroethane	1154.2
n-hexanol	1229.48
2-methoxyethanol	532.41
isobutyl acetate	942.24
tetrachloromethane	418.6
n-pentyl acetate	1170.36
transcutol	2556.98
n-heptanol	682.95
ethylbenzene	1017.01
MIBK	955.05
2-propoxyethanol	1032.67
tert-butanol	1117.28
MTBE	2529.36
2-butoxyethanol	798.36
propionic acid	274.57
o-xylene	799.57
formic acid	37.28
diethyl ether	1766.77
m-xylene	863.15
p-xylene	1215.45
chlorobenzene	877.38
dimethyl carbonate	161.32
n-octane	157.75
formamide	64.45
cyclopentanone	1056.72
2-pentanone	1155.83
anisole	1119.93
cyclopentyl methyl ether	1383.21
gamma-butyrolactone	815.02
1-methoxy-2-propanol	635.09
pyridine	1115.61
3-pentanone	868.38
furfural	644.15
n-dodecane	96.52
diethylene glycol	280.15
diisopropyl ether	849.21
tert-amyl alcohol	1657.65
acetylacetone	838.45
n-hexadecane	112.55
acetophenone	879.28
methyl propionate	693.95
isopentyl acetate	1686.21
trichloroethylene	1926.82
n-nonanol	659.45
cyclohexanol	1023.35
benzyl alcohol	605.2
2-ethylhexanol	1002.42
isooctanol	643.86
dipropyl ether	1090.25
1,2-dichlorobenzene	824.95
ethyl lactate	283.27
propylene carbonate	632.32
n-methylformamide	169.5
2-pentanol	1010.75
n-pentane	354.01
1-propoxy-2-propanol	983.29
1-methoxy-2-propyl acetate	1058.15
2-(2-methoxypropoxy) propanol	825.56
mesitylene	539.7
ε-caprolactone	1542.48
p-cymene	518.87
epichlorohydrin	1375.06
1,1,1-trichloroethane	1613.49
2-aminoethanol	88.02
morpholine-4-carbaldehyde	899.12
sulfolane	757.74
2,2,4-trimethylpentane	273.83
2-methyltetrahydrofuran	2333.87
n-hexyl acetate	1591.48
isooctane	185.2
2-(2-butoxyethoxy)ethanol	1039.94
sec-butyl acetate	1143.0
tert-butyl acetate	1334.46
decalin	392.19
glycerin	72.4
diglyme	1658.81
acrylic acid	138.75
isopropyl myristate	614.67
n-butyric acid	814.15
acetyl acetate	621.45
di(2-ethylhexyl) phthalate	451.67
ethyl propionate	983.22
nitromethane	358.31
1,2-diethoxyethane	1626.19
benzonitrile	635.36
trioctyl phosphate	328.73
1-bromopropane	1403.46
gamma-valerolactone	1253.84
n-decanol	468.32
triethyl phosphate	406.25
4-methyl-2-pentanol	692.22
propionitrile	492.58
vinylene carbonate	490.87
1,1,2-trichlorotrifluoroethane	538.27
DMS	602.27
cumene	659.0
2-octanol	625.52
2-hexanone	1198.65
octyl acetate	743.9
limonene	834.14
1,2-dimethoxyethane	1408.49
ethyl orthosilicate	473.0
tributyl phosphate	407.97
diacetone alcohol	856.28
N,N-dimethylaniline	847.11
acrylonitrile	335.77
aniline	624.6
1,3-propanediol	246.2
bromobenzene	1104.2
dibromomethane	1592.6
1,1,2,2-tetrachloroethane	1785.04
2-methyl-cyclohexyl acetate	1001.56
tetrabutyl urea	513.13
diisobutyl methanol	528.34
2-phenylethanol	808.97
styrene	984.21
dioctyl adipate	734.13
dimethyl sulfate	191.88
ethyl butyrate	1157.46
methyl lactate	168.69
butyl lactate	598.14
diethyl carbonate	635.33
propanediol butyl ether	541.43
triethyl orthoformate	755.04
p-tert-butyltoluene	494.84
methyl 4-tert-butylbenzoate	822.06
morpholine	1743.29
tert-butylamine	931.97
n-dodecanol	344.3
dimethoxymethane	576.62
ethylene carbonate	460.14
cyrene	541.01
2-ethoxyethyl acetate	1082.84
2-ethylhexyl acetate	1425.92
1,2,4-trichlorobenzene	922.1
4-methylpyridine	1564.84
dibutyl ether	1270.1
2,6-dimethyl-4-heptanol	528.34
DEF	1118.47
dimethyl isosorbide	1288.43
tetrachloroethylene	1033.35
eugenol	657.95
triacetin	901.16
span 80	801.4
1,4-butanediol	133.55
1,1-dichloroethane	1488.88
2-methyl-1-pentanol	1204.46
methyl formate	116.85
2-methyl-1-butanol	1068.45
n-decane	193.43
butyronitrile	835.1
3,7-dimethyl-1-octanol	868.98
1-chlorooctane	663.93
1-chlorotetradecane	246.57
n-nonane	198.17
undecane	128.4
tert-butylcyclohexane	387.25
cyclooctane	236.33
cyclopentanol	657.07
tetrahydropyran	2437.01
tert-amyl methyl ether	1923.91
2,5,8-trioxanonane	1080.1
1-hexene	1489.53
2-isopropoxyethanol	728.53
2,2,2-trifluoroethanol	60.06
methyl butyrate	1198.84

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