Molecular formula
C15H24O2

SMILES
CC1=CC(C2CC1C2(C)C)OC(=O)CC(C)C

Fragrance
Herbal	82.26%
Fruity	80.38%
Mint	56.2%
Woody	55.69%
Spicy	50.49%
Pine	47.25%
Balsamic	46.27%
Camphoreous	38.53%
Sweet	37.02%
Cooling	35.91%

 

Flavor
Bitter	49.02%
Herbal	26.76%
Pine	22.6%
Woody	22.48%
Minty	21.68%
Heather	20.98%
Cedarleaf	20.89%
Broom	20.51%
Genet	20.44%
Ripe apricot	20.03%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
7.75 (neutral)

Molecular weight
236.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
271°C

Flash point

• 108.32 ˚C est.

• trans-Verbenyl isovalerate
• SCHEMBL20735152
• RYICZYJEOUZTHU-UHFFFAOYSA-N
• (1R,2S,5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl 3-methylbutanoate
• Butanoic acid, 3-methyl-, 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl ester, (1.alpha.,2.alpha.,5.alpha.)-

For (1R,2S,5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl 3-methylbutanoate, practical applications are mainly in fragrance and as an intermediate. In perfumery, it is regarded as a chiral fragrance ingredient and may function as a fixative, helping to stabilize and extend the aroma in formulations. In cosmetics/personal care, it can be used in fragrance blends for products such as moisturizers, cleansers, and hair care items, within regulatory and formulation limits. In household products, it may be formulated into detergents and cleaning agents to impart a distinctive scent. In industrial manufacturing, it can serve as a chiral building block or intermediate for the synthesis of fragrance-related compounds or specialized ester derivatives, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	618.24
methanol	493.38
isopropanol	637.5
water	2.31
ethyl acetate	680.51
n-propanol	522.94
acetone	719.1
n-butanol	525.43
acetonitrile	530.13
DMF	735.54
toluene	486.3
isobutanol	458.84
1,4-dioxane	1338.0
methyl acetate	567.71
THF	1808.36
2-butanone	586.7
n-pentanol	322.11
sec-butanol	526.71
n-hexane	91.88
ethylene glycol	107.11
NMP	819.67
cyclohexane	203.23
DMSO	407.39
n-butyl acetate	646.9
n-octanol	314.81
chloroform	2200.23
n-propyl acetate	377.93
acetic acid	743.94
dichloromethane	1548.39
cyclohexanone	972.32
propylene glycol	236.04
isopropyl acetate	531.13
DMAc	594.88
2-ethoxyethanol	374.45
isopentanol	539.91
n-heptane	61.84
ethyl formate	387.62
1,2-dichloroethane	931.86
n-hexanol	626.18
2-methoxyethanol	653.59
isobutyl acetate	316.89
tetrachloromethane	318.21
n-pentyl acetate	401.99
transcutol	1712.23
n-heptanol	289.33
ethylbenzene	261.84
MIBK	433.86
2-propoxyethanol	789.31
tert-butanol	719.87
MTBE	669.58
2-butoxyethanol	446.47
propionic acid	466.63
o-xylene	320.93
formic acid	237.11
diethyl ether	577.95
m-xylene	411.98
p-xylene	369.52
chlorobenzene	717.47
dimethyl carbonate	267.23
n-octane	32.25
formamide	290.56
cyclopentanone	976.94
2-pentanone	556.9
anisole	421.37
cyclopentyl methyl ether	781.47
gamma-butyrolactone	1104.94
1-methoxy-2-propanol	634.94
pyridine	836.25
3-pentanone	413.05
furfural	873.13
n-dodecane	31.59
diethylene glycol	524.7
diisopropyl ether	283.6
tert-amyl alcohol	550.02
acetylacetone	636.46
n-hexadecane	37.07
acetophenone	378.34
methyl propionate	490.07
isopentyl acetate	667.47
trichloroethylene	1841.38
n-nonanol	281.48
cyclohexanol	618.56
benzyl alcohol	348.37
2-ethylhexanol	363.19
isooctanol	249.2
dipropyl ether	306.4
1,2-dichlorobenzene	628.99
ethyl lactate	212.32
propylene carbonate	740.58
n-methylformamide	385.83
2-pentanol	453.51
n-pentane	97.64
1-propoxy-2-propanol	607.02
1-methoxy-2-propyl acetate	670.64
2-(2-methoxypropoxy) propanol	471.22
mesitylene	270.08
ε-caprolactone	918.74
p-cymene	185.32
epichlorohydrin	1330.09
1,1,1-trichloroethane	1077.98
2-aminoethanol	268.74
morpholine-4-carbaldehyde	886.56
sulfolane	884.14
2,2,4-trimethylpentane	68.16
2-methyltetrahydrofuran	1215.35
n-hexyl acetate	644.76
isooctane	65.95
2-(2-butoxyethoxy)ethanol	645.1
sec-butyl acetate	322.19
tert-butyl acetate	569.65
decalin	98.43
glycerin	277.43
diglyme	921.29
acrylic acid	400.9
isopropyl myristate	247.27
n-butyric acid	672.33
acetyl acetate	530.85
di(2-ethylhexyl) phthalate	236.32
ethyl propionate	342.05
nitromethane	860.65
1,2-diethoxyethane	632.36
benzonitrile	536.82
trioctyl phosphate	176.5
1-bromopropane	581.53
gamma-valerolactone	1230.77
n-decanol	210.15
triethyl phosphate	187.77
4-methyl-2-pentanol	340.99
propionitrile	403.59
vinylene carbonate	683.24
1,1,2-trichlorotrifluoroethane	770.79
DMS	494.09
cumene	195.34
2-octanol	219.95
2-hexanone	376.3
octyl acetate	317.33
limonene	265.45
1,2-dimethoxyethane	649.51
ethyl orthosilicate	191.1
tributyl phosphate	223.21
diacetone alcohol	544.61
N,N-dimethylaniline	273.02
acrylonitrile	423.25
aniline	538.43
1,3-propanediol	426.88
bromobenzene	748.29
dibromomethane	1041.49
1,1,2,2-tetrachloroethane	1509.08
2-methyl-cyclohexyl acetate	359.87
tetrabutyl urea	244.26
diisobutyl methanol	213.82
2-phenylethanol	514.17
styrene	290.05
dioctyl adipate	306.67
dimethyl sulfate	330.41
ethyl butyrate	376.38
methyl lactate	286.63
butyl lactate	329.54
diethyl carbonate	270.79
propanediol butyl ether	464.42
triethyl orthoformate	284.93
p-tert-butyltoluene	185.43
methyl 4-tert-butylbenzoate	408.54
morpholine	1340.91
tert-butylamine	493.6
n-dodecanol	160.81
dimethoxymethane	557.62
ethylene carbonate	602.27
cyrene	358.71
2-ethoxyethyl acetate	560.29
2-ethylhexyl acetate	522.97
1,2,4-trichlorobenzene	720.31
4-methylpyridine	923.87
dibutyl ether	340.39
2,6-dimethyl-4-heptanol	213.82
DEF	527.14
dimethyl isosorbide	720.56
tetrachloroethylene	908.36
eugenol	364.3
triacetin	490.93
span 80	446.16
1,4-butanediol	162.76
1,1-dichloroethane	1122.19
2-methyl-1-pentanol	355.23
methyl formate	341.73
2-methyl-1-butanol	468.83
n-decane	55.08
butyronitrile	518.75
3,7-dimethyl-1-octanol	342.33
1-chlorooctane	228.2
1-chlorotetradecane	95.11
n-nonane	52.36
undecane	40.43
tert-butylcyclohexane	89.64
cyclooctane	75.03
cyclopentanol	610.25
tetrahydropyran	1263.83
tert-amyl methyl ether	447.89
2,5,8-trioxanonane	597.92
1-hexene	240.55
2-isopropoxyethanol	343.14
2,2,2-trifluoroethanol	316.68
methyl butyrate	423.56

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