Molecular formula
C31H52O2

SMILES
CC1(C2CCC(C1C2)(C)C3(CCC4CC3(C4(C)C)C5(CCC6CC5C6(C)C)C)C)C.C(=O)O

Fragrance
Woody	90.67%
Dry	54.21%
Amber	52.05%
Cedar	42.0%
Camphoreous	36.63%
Sweet	36.39%
Sandalwood	35.45%
Vetiver	35.03%
Balsamic	33.85%
Pine	33.8%

 

Flavor
Woody	69.73%
Sweet	64.43%
Camphor	54.76%
Pine	46.87%
Dry	41.87%
Balsam	34.44%
Medical	31.45%
Earthy	30.16%
Fresh	29.53%
Fir needle	28.5%

 

Odor impact est.
Medium

pKa est.
7.48 (neutral)

Molecular weight
456.7 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
480°C

Flash point

• 121.85 ˚C est.

• SCHEMBL561373

The formate ester of this compound, Formic acid;2,6,6-trimethyl-1,2-bis(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane, is used as a fragrance ingredient and fixative in fragrance and cosmetics applications due to its bulky, lipophilic bicyclic structure, helping to impart and extend scent in fine fragrances and personal care products; it may also be present in household products such as air fresheners and cleaners to contribute fragrance; in industrial contexts, it can serve as a specialty intermediate for the synthesis of other odorants or fragrance ingredients; and it may be considered for aroma formulation in related applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	13.31
methanol	4.08
isopropanol	15.23
water	0.08
ethyl acetate	63.66
n-propanol	23.43
acetone	43.88
n-butanol	31.18
acetonitrile	13.91
DMF	68.78
toluene	143.12
isobutanol	25.51
1,4-dioxane	127.01
methyl acetate	40.13
THF	266.38
2-butanone	63.8
n-pentanol	26.47
sec-butanol	21.32
n-hexane	19.21
ethylene glycol	1.64
NMP	161.34
cyclohexane	29.78
DMSO	22.82
n-butyl acetate	86.03
n-octanol	31.49
chloroform	123.38
n-propyl acetate	50.01
acetic acid	13.39
dichloromethane	82.4
cyclohexanone	150.01
propylene glycol	4.14
isopropyl acetate	80.43
DMAc	109.4
2-ethoxyethanol	30.9
isopentanol	36.29
n-heptane	19.92
ethyl formate	19.26
1,2-dichloroethane	63.54
n-hexanol	48.48
2-methoxyethanol	29.6
isobutyl acetate	62.97
tetrachloromethane	36.27
n-pentyl acetate	92.42
transcutol	105.92
n-heptanol	45.01
ethylbenzene	61.42
MIBK	80.99
2-propoxyethanol	84.12
tert-butanol	23.42
MTBE	63.18
2-butoxyethanol	79.74
propionic acid	20.57
o-xylene	84.33
formic acid	2.55
diethyl ether	73.27
m-xylene	112.08
p-xylene	77.16
chlorobenzene	99.5
dimethyl carbonate	44.55
n-octane	7.25
formamide	5.1
cyclopentanone	183.91
2-pentanone	82.0
anisole	97.74
cyclopentyl methyl ether	182.29
gamma-butyrolactone	139.83
1-methoxy-2-propanol	45.31
pyridine	124.94
3-pentanone	80.49
furfural	98.85
n-dodecane	3.58
diethylene glycol	22.8
diisopropyl ether	53.73
tert-amyl alcohol	27.23
acetylacetone	94.41
n-hexadecane	4.49
acetophenone	82.9
methyl propionate	68.63
isopentyl acetate	111.91
trichloroethylene	136.14
n-nonanol	36.81
cyclohexanol	50.44
benzyl alcohol	46.1
2-ethylhexanol	50.77
isooctanol	43.75
dipropyl ether	91.14
1,2-dichlorobenzene	100.48
ethyl lactate	26.31
propylene carbonate	80.02
n-methylformamide	16.77
2-pentanol	31.78
n-pentane	19.99
1-propoxy-2-propanol	83.49
1-methoxy-2-propyl acetate	142.04
2-(2-methoxypropoxy) propanol	65.26
mesitylene	78.03
ε-caprolactone	138.14
p-cymene	57.39
epichlorohydrin	137.14
1,1,1-trichloroethane	91.02
2-aminoethanol	5.98
morpholine-4-carbaldehyde	150.2
sulfolane	133.35
2,2,4-trimethylpentane	14.04
2-methyltetrahydrofuran	160.97
n-hexyl acetate	101.62
isooctane	13.6
2-(2-butoxyethoxy)ethanol	77.7
sec-butyl acetate	57.34
tert-butyl acetate	109.75
decalin	21.0
glycerin	6.74
diglyme	152.0
acrylic acid	16.97
isopropyl myristate	46.42
n-butyric acid	40.1
acetyl acetate	53.96
di(2-ethylhexyl) phthalate	42.24
ethyl propionate	61.05
nitromethane	27.26
1,2-diethoxyethane	77.72
benzonitrile	55.55
trioctyl phosphate	33.47
1-bromopropane	59.93
gamma-valerolactone	208.75
n-decanol	24.98
triethyl phosphate	52.14
4-methyl-2-pentanol	32.98
propionitrile	28.23
vinylene carbonate	73.27
1,1,2-trichlorotrifluoroethane	66.04
DMS	79.39
cumene	46.88
2-octanol	31.27
2-hexanone	57.67
octyl acetate	51.01
limonene	68.98
1,2-dimethoxyethane	74.18
ethyl orthosilicate	58.31
tributyl phosphate	32.03
diacetone alcohol	68.86
N,N-dimethylaniline	82.83
acrylonitrile	25.93
aniline	75.49
1,3-propanediol	13.14
bromobenzene	127.32
dibromomethane	65.79
1,1,2,2-tetrachloroethane	112.31
2-methyl-cyclohexyl acetate	89.76
tetrabutyl urea	47.15
diisobutyl methanol	40.85
2-phenylethanol	72.91
styrene	62.42
dioctyl adipate	58.93
dimethyl sulfate	65.94
ethyl butyrate	78.96
methyl lactate	27.97
butyl lactate	58.58
diethyl carbonate	49.74
propanediol butyl ether	39.2
triethyl orthoformate	84.94
p-tert-butyltoluene	64.56
methyl 4-tert-butylbenzoate	114.27
morpholine	121.16
tert-butylamine	22.81
n-dodecanol	17.45
dimethoxymethane	88.13
ethylene carbonate	64.79
cyrene	74.25
2-ethoxyethyl acetate	110.0
2-ethylhexyl acetate	108.92
1,2,4-trichlorobenzene	125.86
4-methylpyridine	131.64
dibutyl ether	51.76
2,6-dimethyl-4-heptanol	40.85
DEF	93.11
dimethyl isosorbide	154.77
tetrachloroethylene	75.01
eugenol	81.22
triacetin	88.79
span 80	62.59
1,4-butanediol	6.78
1,1-dichloroethane	62.81
2-methyl-1-pentanol	31.76
methyl formate	14.64
2-methyl-1-butanol	36.17
n-decane	8.96
butyronitrile	32.64
3,7-dimethyl-1-octanol	37.97
1-chlorooctane	32.1
1-chlorotetradecane	11.8
n-nonane	7.67
undecane	5.34
tert-butylcyclohexane	19.16
cyclooctane	18.75
cyclopentanol	47.69
tetrahydropyran	146.83
tert-amyl methyl ether	64.12
2,5,8-trioxanonane	95.64
1-hexene	38.25
2-isopropoxyethanol	35.35
2,2,2-trifluoroethanol	10.03
methyl butyrate	60.13

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