Molecular formula
C10H14O

SMILES
CC=CC1=CCC(C=C1)OC

Fragrance
Spicy	68.93%
Herbal	57.02%
Sweet	56.58%
Fruity	49.2%
Floral	41.17%
Green	34.21%
Woody	33.63%
Fresh	31.84%
Mint	31.61%
Cinnamon	31.53%

 

Flavor
Spice	46.44%
Herbal	46.21%
Spicy	44.13%
Green	36.75%
Mint	35.22%
Fresh	33.69%
Sweet	29.84%
Fatty	28.52%
Floral	28.16%
Cinnamon	26.33%

 

Odor impact est.
High

XLogP3-AA
2.2

pKa est.
8.23 (weak base)

Molecular weight
150.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
205°C

Flash point

• 77.44 ˚C est.

• CEACUXOVVIUXJZ-UHFFFAOYSA-N

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene is primarily utilized as a synthetic intermediate in organic synthesis. In the fragrance industry, it can serve as a fragrance component or odorant precursor, contributing to aroma profiles via its conjugated diene system and methoxy substitution. In cosmetics and personal care, it may be evaluated as a fragrance ingredient or aroma chemical in formulation development, subject to regulatory compliance. In industrial manufacturing, it provides a building block for the preparation of more complex specialty chemicals and enables further functionalization. In polymers and plastics, it can act as a reactive monomer or co-monomer for functionalized cyclic dienes, enabling the synthesis of engineered polymers with tailored properties.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	974.55
methanol	721.09
isopropanol	734.84
water	0.35
ethyl acetate	1754.06
n-propanol	877.15
acetone	1799.46
n-butanol	872.28
acetonitrile	1616.69
DMF	1100.82
toluene	1289.95
isobutanol	576.61
1,4-dioxane	2453.65
methyl acetate	1539.8
THF	2140.79
2-butanone	1684.3
n-pentanol	543.29
sec-butanol	747.34
n-hexane	256.01
ethylene glycol	190.89
NMP	1056.95
cyclohexane	474.64
DMSO	1985.45
n-butyl acetate	1004.5
n-octanol	218.64
chloroform	4341.63
n-propyl acetate	772.61
acetic acid	797.87
dichloromethane	4256.57
cyclohexanone	1551.07
propylene glycol	294.19
isopropyl acetate	715.44
DMAc	874.79
2-ethoxyethanol	763.22
isopentanol	690.2
n-heptane	139.68
ethyl formate	607.21
1,2-dichloroethane	2795.8
n-hexanol	617.92
2-methoxyethanol	1130.98
isobutyl acetate	390.9
tetrachloromethane	869.81
n-pentyl acetate	401.8
transcutol	3595.21
n-heptanol	200.4
ethylbenzene	402.42
MIBK	508.77
2-propoxyethanol	912.46
tert-butanol	970.71
MTBE	1317.24
2-butoxyethanol	390.24
propionic acid	769.5
o-xylene	479.4
formic acid	206.43
diethyl ether	2145.09
m-xylene	556.57
p-xylene	410.97
chlorobenzene	1289.74
dimethyl carbonate	391.35
n-octane	40.54
formamide	379.27
cyclopentanone	1572.17
2-pentanone	1206.77
anisole	818.46
cyclopentyl methyl ether	1274.58
gamma-butyrolactone	1542.15
1-methoxy-2-propanol	816.11
pyridine	2523.12
3-pentanone	1113.91
furfural	1355.25
n-dodecane	27.6
diethylene glycol	582.14
diisopropyl ether	399.65
tert-amyl alcohol	776.48
acetylacetone	1047.84
n-hexadecane	33.46
acetophenone	553.31
methyl propionate	1080.14
isopentyl acetate	710.47
trichloroethylene	4529.65
n-nonanol	192.86
cyclohexanol	776.29
benzyl alcohol	512.11
2-ethylhexanol	387.4
isooctanol	170.02
dipropyl ether	674.34
1,2-dichlorobenzene	952.73
ethyl lactate	250.29
propylene carbonate	785.57
n-methylformamide	608.37
2-pentanol	609.63
n-pentane	265.53
1-propoxy-2-propanol	643.93
1-methoxy-2-propyl acetate	768.14
2-(2-methoxypropoxy) propanol	502.26
mesitylene	303.12
ε-caprolactone	1160.95
p-cymene	214.09
epichlorohydrin	2370.21
1,1,1-trichloroethane	2621.08
2-aminoethanol	373.73
morpholine-4-carbaldehyde	1261.19
sulfolane	1737.47
2,2,4-trimethylpentane	99.78
2-methyltetrahydrofuran	2112.89
n-hexyl acetate	566.37
isooctane	78.47
2-(2-butoxyethoxy)ethanol	714.86
sec-butyl acetate	469.29
tert-butyl acetate	691.76
decalin	152.07
glycerin	349.49
diglyme	1375.19
acrylic acid	631.05
isopropyl myristate	217.98
n-butyric acid	966.63
acetyl acetate	779.33
di(2-ethylhexyl) phthalate	200.91
ethyl propionate	676.6
nitromethane	1517.87
1,2-diethoxyethane	1403.99
benzonitrile	826.21
trioctyl phosphate	127.19
1-bromopropane	1896.37
gamma-valerolactone	1554.03
n-decanol	148.31
triethyl phosphate	242.05
4-methyl-2-pentanol	285.54
propionitrile	1172.22
vinylene carbonate	731.25
1,1,2-trichlorotrifluoroethane	1310.93
DMS	536.02
cumene	215.49
2-octanol	140.61
2-hexanone	724.02
octyl acetate	257.25
limonene	358.01
1,2-dimethoxyethane	1290.47
ethyl orthosilicate	253.94
tributyl phosphate	194.82
diacetone alcohol	604.36
N,N-dimethylaniline	397.24
acrylonitrile	1234.67
aniline	1151.04
1,3-propanediol	522.18
bromobenzene	1550.28
dibromomethane	2967.64
1,1,2,2-tetrachloroethane	3430.69
2-methyl-cyclohexyl acetate	386.04
tetrabutyl urea	222.35
diisobutyl methanol	218.39
2-phenylethanol	478.98
styrene	606.82
dioctyl adipate	322.06
dimethyl sulfate	572.72
ethyl butyrate	646.13
methyl lactate	314.88
butyl lactate	283.65
diethyl carbonate	422.09
propanediol butyl ether	376.26
triethyl orthoformate	397.55
p-tert-butyltoluene	207.3
methyl 4-tert-butylbenzoate	379.29
morpholine	2548.52
tert-butylamine	697.56
n-dodecanol	116.5
dimethoxymethane	976.68
ethylene carbonate	632.03
cyrene	372.09
2-ethoxyethyl acetate	718.78
2-ethylhexyl acetate	589.16
1,2,4-trichlorobenzene	1154.56
4-methylpyridine	1842.42
dibutyl ether	500.1
2,6-dimethyl-4-heptanol	218.39
DEF	1156.81
dimethyl isosorbide	752.62
tetrachloroethylene	2134.81
eugenol	369.76
triacetin	553.18
span 80	396.2
1,4-butanediol	206.31
1,1-dichloroethane	2641.34
2-methyl-1-pentanol	494.75
methyl formate	458.7
2-methyl-1-butanol	679.64
n-decane	49.12
butyronitrile	1037.16
3,7-dimethyl-1-octanol	275.71
1-chlorooctane	233.7
1-chlorotetradecane	89.13
n-nonane	52.74
undecane	35.14
tert-butylcyclohexane	131.43
cyclooctane	153.01
cyclopentanol	646.09
tetrahydropyran	2605.11
tert-amyl methyl ether	824.1
2,5,8-trioxanonane	844.36
1-hexene	678.87
2-isopropoxyethanol	521.76
2,2,2-trifluoroethanol	237.31
methyl butyrate	818.6

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