Molecular formula
C40H56O2

SMILES
CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1([C@H]2CCC(=C)[C@H]1C2)C

Fragrance
Spicy	65.72%
Herbal	64.18%
Woody	61.84%
Citrus	52.9%
Fresh	49.68%
Terpenic	45.07%
Green	42.88%
Earthy	37.08%
Phenolic	35.93%
Lemon	34.56%

 

Flavor
Woody	57.86%
Citrus	46.21%
Spice	45.75%
Terpene	38.76%
Gasoline	37.4%
Spicy	37.18%
Fresh	35.29%
Herbal	33.36%
Wood	32.43%
Medicinal	29.9%

 

Odor impact est.
High

pKa est.
8.36 (weak base)

Molecular weight
568.9 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
176°C

Flash point

• 55.32 ˚C est.

• (1R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde
• SVCMDSOPXZQYHJ-RJSISIMASA-N

Applied as odorants and fragrance ingredients, the chemical described as (1R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde is typically used as an aroma building block and potential fixative in perfumery, with potential use in flavor formulations as a scent component; it can be incorporated into cosmetics/personal care formulations for fragrance delivery and into household products such as air fresheners and cleaners to impart distinctive notes; it may also be evaluated for use in coatings and inks to modulate scent release and can serve as an intermediate in industrial manufacturing for synthesis of related fragrance compounds, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	446.61
methanol	146.51
isopropanol	328.56
water	0.04
ethyl acetate	963.74
n-propanol	411.85
acetone	692.46
n-butanol	486.95
acetonitrile	756.98
DMF	353.33
toluene	745.62
isobutanol	259.97
1,4-dioxane	1701.82
methyl acetate	621.64
THF	2407.18
2-butanone	858.82
n-pentanol	328.67
sec-butanol	340.2
n-hexane	631.88
ethylene glycol	15.77
NMP	362.57
cyclohexane	667.69
DMSO	294.26
n-butyl acetate	2141.98
n-octanol	311.29
chloroform	1668.45
n-propyl acetate	580.05
acetic acid	165.76
dichloromethane	1793.31
cyclohexanone	1055.58
propylene glycol	41.95
isopropyl acetate	538.19
DMAc	309.65
2-ethoxyethanol	237.34
isopentanol	370.14
n-heptane	1027.79
ethyl formate	421.46
1,2-dichloroethane	1152.54
n-hexanol	1093.32
2-methoxyethanol	314.63
isobutyl acetate	388.07
tetrachloromethane	363.01
n-pentyl acetate	463.43
transcutol	1058.23
n-heptanol	306.66
ethylbenzene	397.9
MIBK	436.4
2-propoxyethanol	742.08
tert-butanol	442.69
MTBE	883.97
2-butoxyethanol	318.96
propionic acid	186.99
o-xylene	313.47
formic acid	15.64
diethyl ether	1500.35
m-xylene	403.13
p-xylene	439.86
chlorobenzene	652.44
dimethyl carbonate	133.33
n-octane	207.3
formamide	43.23
cyclopentanone	1007.66
2-pentanone	808.87
anisole	511.01
cyclopentyl methyl ether	1017.21
gamma-butyrolactone	832.89
1-methoxy-2-propanol	299.24
pyridine	1208.56
3-pentanone	621.24
furfural	465.07
n-dodecane	100.67
diethylene glycol	169.68
diisopropyl ether	427.05
tert-amyl alcohol	377.82
acetylacetone	516.27
n-hexadecane	118.96
acetophenone	323.12
methyl propionate	480.81
isopentyl acetate	1258.03
trichloroethylene	1384.39
n-nonanol	285.27
cyclohexanol	424.34
benzyl alcohol	207.57
2-ethylhexanol	842.9
isooctanol	226.36
dipropyl ether	2182.62
1,2-dichlorobenzene	451.05
ethyl lactate	103.18
propylene carbonate	491.69
n-methylformamide	141.29
2-pentanol	349.85
n-pentane	388.78
1-propoxy-2-propanol	699.17
1-methoxy-2-propyl acetate	752.01
2-(2-methoxypropoxy) propanol	276.98
mesitylene	235.97
ε-caprolactone	759.9
p-cymene	395.89
epichlorohydrin	1083.35
1,1,1-trichloroethane	1058.6
2-aminoethanol	58.04
morpholine-4-carbaldehyde	481.19
sulfolane	524.48
2,2,4-trimethylpentane	108.53
2-methyltetrahydrofuran	1786.52
n-hexyl acetate	643.58
isooctane	106.11
2-(2-butoxyethoxy)ethanol	411.12
sec-butyl acetate	359.12
tert-butyl acetate	522.51
decalin	203.96
glycerin	39.54
diglyme	842.56
acrylic acid	105.34
isopropyl myristate	274.07
n-butyric acid	484.03
acetyl acetate	395.98
di(2-ethylhexyl) phthalate	166.84
ethyl propionate	485.53
nitromethane	320.3
1,2-diethoxyethane	1306.73
benzonitrile	448.71
trioctyl phosphate	130.57
1-bromopropane	1320.3
gamma-valerolactone	822.03
n-decanol	221.47
triethyl phosphate	240.68
4-methyl-2-pentanol	201.31
propionitrile	636.62
vinylene carbonate	371.01
1,1,2-trichlorotrifluoroethane	250.65
DMS	289.45
cumene	230.02
2-octanol	202.31
2-hexanone	691.67
octyl acetate	324.89
limonene	673.64
1,2-dimethoxyethane	900.64
ethyl orthosilicate	268.67
tributyl phosphate	170.44
diacetone alcohol	303.74
N,N-dimethylaniline	299.35
acrylonitrile	433.7
aniline	395.55
1,3-propanediol	131.3
bromobenzene	818.52
dibromomethane	1529.72
1,1,2,2-tetrachloroethane	977.08
2-methyl-cyclohexyl acetate	515.07
tetrabutyl urea	227.08
diisobutyl methanol	363.37
2-phenylethanol	405.88
styrene	471.63
dioctyl adipate	300.17
dimethyl sulfate	127.5
ethyl butyrate	1137.87
methyl lactate	82.77
butyl lactate	185.22
diethyl carbonate	501.06
propanediol butyl ether	159.62
triethyl orthoformate	574.39
p-tert-butyltoluene	372.32
methyl 4-tert-butylbenzoate	278.26
morpholine	1575.65
tert-butylamine	426.03
n-dodecanol	181.7
dimethoxymethane	497.58
ethylene carbonate	388.86
cyrene	182.45
2-ethoxyethyl acetate	488.12
2-ethylhexyl acetate	1173.24
1,2,4-trichlorobenzene	427.54
4-methylpyridine	1052.69
dibutyl ether	1010.99
2,6-dimethyl-4-heptanol	363.37
DEF	591.51
dimethyl isosorbide	596.6
tetrachloroethylene	598.04
eugenol	202.5
triacetin	302.32
span 80	275.87
1,4-butanediol	43.5
1,1-dichloroethane	1131.07
2-methyl-1-pentanol	296.28
methyl formate	120.45
2-methyl-1-butanol	325.83
n-decane	198.04
butyronitrile	934.6
3,7-dimethyl-1-octanol	315.61
1-chlorooctane	454.86
1-chlorotetradecane	169.19
n-nonane	233.01
undecane	134.76
tert-butylcyclohexane	187.48
cyclooctane	270.9
cyclopentanol	349.65
tetrahydropyran	2250.35
tert-amyl methyl ether	569.18
2,5,8-trioxanonane	518.77
1-hexene	1251.48
2-isopropoxyethanol	209.19
2,2,2-trifluoroethanol	33.75
methyl butyrate	617.09

Scent© AI