Molecular formula
C10H14O

SMILES
CC1([C@@H]2CC1CC=C2C=O)C

Fragrance
Herbal	83.34%
Green	78.57%
Woody	76.29%
Sweet	72.93%
Mint	69.52%
Spicy	68.79%
Camphoreous	60.65%
Fresh	53.46%
Cooling	52.4%
Pine	51.43%

 

Flavor
Sweet	69.22%
Spicy	52.64%
Spice	48.36%
Woody	43.98%
Cinnamon	37.7%
Fresh	37.59%
Herbal	37.1%
Mint	35.61%
Balsam	35.15%
Camphor	35.15%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.36 (neutral)

Molecular weight
150.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
221°C

Flash point

• 83.78 ˚C est.

The compound (1S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde is primarily used as a chiral building block and synthetic intermediate in pharmaceutical and agrochemical research, enabling stereoselective routes to complex active ingredients. It is also evaluated as a fragrance intermediate or odorant due to its rigid bicyclic aldehyde structure, contributing to fragrance libraries and cosmetic formulation research. In addition, it serves as a specialized aldehyde starting material in academic and industrial organic synthesis, including applications in polymers and materials science as a functional precursor for advanced materials. Its use is typically subject to local regulations and formulation objectives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	159.99
methanol	155.03
isopropanol	133.26
water	3.26
ethyl acetate	285.18
n-propanol	145.6
acetone	235.84
n-butanol	125.98
acetonitrile	225.61
DMF	244.15
toluene	157.84
isobutanol	92.07
1,4-dioxane	486.64
methyl acetate	271.65
THF	403.46
2-butanone	213.12
n-pentanol	61.25
sec-butanol	81.46
n-hexane	7.87
ethylene glycol	55.99
NMP	114.59
cyclohexane	20.0
DMSO	135.18
n-butyl acetate	158.28
n-octanol	52.65
chloroform	569.27
n-propyl acetate	109.2
acetic acid	116.01
dichloromethane	401.22
cyclohexanone	219.06
propylene glycol	52.0
isopropyl acetate	161.77
DMAc	155.73
2-ethoxyethanol	137.37
isopentanol	104.54
n-heptane	10.96
ethyl formate	153.62
1,2-dichloroethane	278.66
n-hexanol	128.16
2-methoxyethanol	275.89
isobutyl acetate	72.93
tetrachloromethane	89.0
n-pentyl acetate	84.88
transcutol	597.79
n-heptanol	62.51
ethylbenzene	75.23
MIBK	116.97
2-propoxyethanol	270.45
tert-butanol	133.76
MTBE	125.49
2-butoxyethanol	140.85
propionic acid	123.51
o-xylene	94.59
formic acid	77.71
diethyl ether	173.97
m-xylene	119.25
p-xylene	102.26
chlorobenzene	193.25
dimethyl carbonate	114.42
n-octane	5.68
formamide	133.77
cyclopentanone	254.81
2-pentanone	171.66
anisole	151.97
cyclopentyl methyl ether	154.74
gamma-butyrolactone	297.45
1-methoxy-2-propanol	216.94
pyridine	307.59
3-pentanone	135.37
furfural	274.77
n-dodecane	4.84
diethylene glycol	209.27
diisopropyl ether	61.04
tert-amyl alcohol	80.4
acetylacetone	217.29
n-hexadecane	5.7
acetophenone	118.1
methyl propionate	207.5
isopentyl acetate	133.49
trichloroethylene	507.69
n-nonanol	50.31
cyclohexanol	89.76
benzyl alcohol	99.74
2-ethylhexanol	69.73
isooctanol	51.96
dipropyl ether	85.62
1,2-dichlorobenzene	164.43
ethyl lactate	67.06
propylene carbonate	160.17
n-methylformamide	185.93
2-pentanol	78.58
n-pentane	11.86
1-propoxy-2-propanol	174.85
1-methoxy-2-propyl acetate	219.57
2-(2-methoxypropoxy) propanol	127.12
mesitylene	74.89
ε-caprolactone	195.34
p-cymene	51.03
epichlorohydrin	380.86
1,1,1-trichloroethane	270.07
2-aminoethanol	100.85
morpholine-4-carbaldehyde	251.76
sulfolane	173.43
2,2,4-trimethylpentane	7.3
2-methyltetrahydrofuran	203.14
n-hexyl acetate	114.62
isooctane	9.47
2-(2-butoxyethoxy)ethanol	185.9
sec-butyl acetate	81.14
tert-butyl acetate	145.76
decalin	12.48
glycerin	82.23
diglyme	320.34
acrylic acid	109.57
isopropyl myristate	48.42
n-butyric acid	163.75
acetyl acetate	167.53
di(2-ethylhexyl) phthalate	47.42
ethyl propionate	117.57
nitromethane	301.65
1,2-diethoxyethane	202.96
benzonitrile	149.57
trioctyl phosphate	34.12
1-bromopropane	135.37
gamma-valerolactone	369.83
n-decanol	38.29
triethyl phosphate	52.68
4-methyl-2-pentanol	63.42
propionitrile	177.34
vinylene carbonate	186.49
1,1,2-trichlorotrifluoroethane	188.87
DMS	144.71
cumene	53.57
2-octanol	37.34
2-hexanone	93.0
octyl acetate	57.5
limonene	52.67
1,2-dimethoxyethane	224.91
ethyl orthosilicate	51.62
tributyl phosphate	42.39
diacetone alcohol	150.08
N,N-dimethylaniline	82.78
acrylonitrile	227.0
aniline	169.78
1,3-propanediol	153.19
bromobenzene	192.56
dibromomethane	264.03
1,1,2,2-tetrachloroethane	327.56
2-methyl-cyclohexyl acetate	77.51
tetrabutyl urea	49.85
diisobutyl methanol	51.16
2-phenylethanol	148.54
styrene	82.8
dioctyl adipate	58.25
dimethyl sulfate	113.86
ethyl butyrate	104.63
methyl lactate	105.35
butyl lactate	80.57
diethyl carbonate	81.02
propanediol butyl ether	102.06
triethyl orthoformate	78.06
p-tert-butyltoluene	51.09
methyl 4-tert-butylbenzoate	103.27
morpholine	391.12
tert-butylamine	83.92
n-dodecanol	29.33
dimethoxymethane	243.34
ethylene carbonate	156.78
cyrene	89.04
2-ethoxyethyl acetate	168.5
2-ethylhexyl acetate	96.92
1,2,4-trichlorobenzene	174.53
4-methylpyridine	246.3
dibutyl ether	59.85
2,6-dimethyl-4-heptanol	51.16
DEF	138.1
dimethyl isosorbide	186.05
tetrachloroethylene	224.42
eugenol	106.54
triacetin	117.71
span 80	92.76
1,4-butanediol	45.88
1,1-dichloroethane	285.87
2-methyl-1-pentanol	54.76
methyl formate	156.35
2-methyl-1-butanol	79.84
n-decane	7.84
butyronitrile	156.04
3,7-dimethyl-1-octanol	63.09
1-chlorooctane	36.37
1-chlorotetradecane	16.35
n-nonane	6.99
undecane	6.01
tert-butylcyclohexane	12.13
cyclooctane	8.68
cyclopentanol	91.04
tetrahydropyran	264.23
tert-amyl methyl ether	78.77
2,5,8-trioxanonane	201.95
1-hexene	31.25
2-isopropoxyethanol	99.6
2,2,2-trifluoroethanol	86.77
methyl butyrate	120.63

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