Molecular formula
C14H20O

SMILES
CC(=CC=C1C2CCC(C2)C1(C)C)C=O

Fragrance
Woody	77.2%
Sweet	52.98%
Violet	45.78%
Sandalwood	42.05%
Powdery	40.47%
Floral	37.82%
Oily	37.61%
Orris	36.93%
Nutty	34.51%
Dry	34.41%

 

Flavor
Woody	42.76%
Spicy	33.23%
Sweet	32.3%
Herbal	30.96%
Spice	25.4%
Balsam	24.57%
Wood	22.88%
Balsamic	21.45%
Oriental	20.99%
Minty	20.92%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
8.7 (weak base)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
292°C

Flash point

• 110.75 ˚C est.

4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylbut-2-enal is used as a fragrance ingredient and odor fixative in perfumes, cosmetics/personal care, and household products; it also functions as an organic synthesis intermediate for complex compounds, serving as a building block in specialty polymers or plastics; additionally, it may be evaluated for coatings and inks formulations where fragrance properties or processing stability are desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	512.02
methanol	433.11
isopropanol	414.0
water	1.04
ethyl acetate	1326.4
n-propanol	491.97
acetone	758.31
n-butanol	498.01
acetonitrile	695.96
DMF	717.83
toluene	1251.36
isobutanol	334.62
1,4-dioxane	1664.25
methyl acetate	893.95
THF	1549.94
2-butanone	917.23
n-pentanol	231.03
sec-butanol	329.45
n-hexane	47.45
ethylene glycol	76.22
NMP	437.74
cyclohexane	128.89
DMSO	359.21
n-butyl acetate	683.03
n-octanol	99.85
chloroform	2862.55
n-propyl acetate	575.24
acetic acid	331.09
dichloromethane	2030.54
cyclohexanone	917.71
propylene glycol	139.13
isopropyl acetate	808.98
DMAc	623.11
2-ethoxyethanol	440.25
isopentanol	467.41
n-heptane	28.02
ethyl formate	529.7
1,2-dichloroethane	1181.86
n-hexanol	323.36
2-methoxyethanol	776.38
isobutyl acetate	393.17
tetrachloromethane	466.4
n-pentyl acetate	288.5
transcutol	2464.47
n-heptanol	137.24
ethylbenzene	445.5
MIBK	522.57
2-propoxyethanol	681.81
tert-butanol	478.98
MTBE	804.57
2-butoxyethanol	339.42
propionic acid	350.94
o-xylene	540.0
formic acid	153.91
diethyl ether	964.32
m-xylene	700.9
p-xylene	556.59
chlorobenzene	1015.22
dimethyl carbonate	413.79
n-octane	10.24
formamide	358.84
cyclopentanone	905.04
2-pentanone	758.9
anisole	961.26
cyclopentyl methyl ether	770.68
gamma-butyrolactone	954.47
1-methoxy-2-propanol	653.41
pyridine	1470.36
3-pentanone	634.89
furfural	1040.5
n-dodecane	7.43
diethylene glycol	421.43
diisopropyl ether	317.95
tert-amyl alcohol	372.45
acetylacetone	896.78
n-hexadecane	9.31
acetophenone	677.02
methyl propionate	747.6
isopentyl acetate	649.4
trichloroethylene	2501.52
n-nonanol	99.8
cyclohexanol	393.61
benzyl alcohol	526.72
2-ethylhexanol	201.29
isooctanol	129.57
dipropyl ether	317.52
1,2-dichlorobenzene	889.95
ethyl lactate	225.19
propylene carbonate	643.71
n-methylformamide	500.89
2-pentanol	334.96
n-pentane	61.62
1-propoxy-2-propanol	485.96
1-methoxy-2-propyl acetate	957.0
2-(2-methoxypropoxy) propanol	416.13
mesitylene	419.29
ε-caprolactone	874.16
p-cymene	207.34
epichlorohydrin	1477.62
1,1,1-trichloroethane	1397.49
2-aminoethanol	212.22
morpholine-4-carbaldehyde	908.22
sulfolane	566.11
2,2,4-trimethylpentane	41.53
2-methyltetrahydrofuran	1058.95
n-hexyl acetate	363.96
isooctane	42.65
2-(2-butoxyethoxy)ethanol	538.09
sec-butyl acetate	508.09
tert-butyl acetate	755.18
decalin	70.99
glycerin	178.01
diglyme	1122.21
acrylic acid	296.68
isopropyl myristate	148.27
n-butyric acid	634.53
acetyl acetate	682.74
di(2-ethylhexyl) phthalate	167.12
ethyl propionate	556.33
nitromethane	750.69
1,2-diethoxyethane	858.36
benzonitrile	750.16
trioctyl phosphate	86.63
1-bromopropane	703.52
gamma-valerolactone	1266.33
n-decanol	71.33
triethyl phosphate	207.53
4-methyl-2-pentanol	263.05
propionitrile	693.13
vinylene carbonate	700.51
1,1,2-trichlorotrifluoroethane	789.61
DMS	513.24
cumene	277.91
2-octanol	82.02
2-hexanone	451.77
octyl acetate	163.45
limonene	215.22
1,2-dimethoxyethane	850.95
ethyl orthosilicate	212.68
tributyl phosphate	127.97
diacetone alcohol	563.47
N,N-dimethylaniline	495.87
acrylonitrile	779.89
aniline	999.23
1,3-propanediol	358.32
bromobenzene	1172.8
dibromomethane	1329.75
1,1,2,2-tetrachloroethane	1786.5
2-methyl-cyclohexyl acetate	357.58
tetrabutyl urea	132.08
diisobutyl methanol	151.43
2-phenylethanol	568.85
styrene	601.85
dioctyl adipate	218.51
dimethyl sulfate	364.0
ethyl butyrate	499.72
methyl lactate	310.54
butyl lactate	256.75
diethyl carbonate	352.61
propanediol butyl ether	279.64
triethyl orthoformate	336.8
p-tert-butyltoluene	217.3
methyl 4-tert-butylbenzoate	393.05
morpholine	1621.53
tert-butylamine	350.13
n-dodecanol	51.89
dimethoxymethane	822.04
ethylene carbonate	600.99
cyrene	305.71
2-ethoxyethyl acetate	598.15
2-ethylhexyl acetate	489.46
1,2,4-trichlorobenzene	1020.33
4-methylpyridine	1452.31
dibutyl ether	197.14
2,6-dimethyl-4-heptanol	151.43
DEF	694.87
dimethyl isosorbide	697.75
tetrachloroethylene	1157.92
eugenol	366.72
triacetin	451.31
span 80	272.45
1,4-butanediol	105.13
1,1-dichloroethane	1318.99
2-methyl-1-pentanol	266.34
methyl formate	355.9
2-methyl-1-butanol	367.15
n-decane	14.03
butyronitrile	670.6
3,7-dimethyl-1-octanol	158.43
1-chlorooctane	88.36
1-chlorotetradecane	31.46
n-nonane	12.57
undecane	9.84
tert-butylcyclohexane	65.32
cyclooctane	51.23
cyclopentanol	303.1
tetrahydropyran	1358.53
tert-amyl methyl ether	454.69
2,5,8-trioxanonane	678.75
1-hexene	196.33
2-isopropoxyethanol	351.0
2,2,2-trifluoroethanol	178.28
methyl butyrate	619.3

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