Molecular formula
C10H16

SMILES
C/C=C\CC1=C(CCC1)C

Fragrance
Woody	64.7%
Sweet	55.77%
Herbal	55.2%
Floral	53.0%
Citrus	52.99%
Spicy	48.59%
Tropical	46.44%
Fruity	44.68%
Balsamic	42.33%
Fresh	40.84%

 

Flavor
Woody	39.67%
Wood	34.46%
Citrus	34.19%
Spicy	33.13%
Herbal	30.67%
Spice	29.88%
Balsamic	26.35%
Sweet	25.46%
Balsam	25.25%
Terpene	23.89%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
10.17 (weak base)

Molecular weight
136.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
188°C

Flash point

• 49.65 ˚C est.

• QUQOZOBHIUEDSV-ARJAWSKDSA-N

CID 92043553 (CAS number: ) is a chemical with real-world applications spanning as an organic synthesis intermediate in industrial manufacturing (notably for pharmaceuticals and agrochemicals), as a solvent or processing aid in coatings, inks, and adhesives, as a plasticizer or stabilizer in polymers and plastics, as a fragrance ingredient or odorant in perfumery and cosmetics, and as a surfactant or cleansing solvent in household and personal care products; it may also function as a chelating agent in cleaning formulations and industrial processes. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	412.26
methanol	145.4
isopropanol	466.66
water	0.1
ethyl acetate	929.06
n-propanol	476.59
acetone	510.15
n-butanol	556.63
acetonitrile	525.33
DMF	279.61
toluene	1071.97
isobutanol	385.57
1,4-dioxane	1525.88
methyl acetate	632.02
THF	1637.62
2-butanone	748.88
n-pentanol	380.69
sec-butanol	584.7
n-hexane	615.56
ethylene glycol	38.28
NMP	277.76
cyclohexane	971.94
DMSO	347.86
n-butyl acetate	1301.83
n-octanol	459.85
chloroform	1952.68
n-propyl acetate	468.62
acetic acid	184.8
dichloromethane	1663.82
cyclohexanone	840.57
propylene glycol	106.45
isopropyl acetate	583.86
DMAc	333.75
2-ethoxyethanol	311.73
isopentanol	529.26
n-heptane	1038.54
ethyl formate	287.44
1,2-dichloroethane	891.47
n-hexanol	1023.33
2-methoxyethanol	372.99
isobutyl acetate	339.24
tetrachloromethane	522.34
n-pentyl acetate	504.83
transcutol	1539.63
n-heptanol	408.4
ethylbenzene	523.68
MIBK	479.35
2-propoxyethanol	684.57
tert-butanol	741.57
MTBE	1105.93
2-butoxyethanol	387.01
propionic acid	250.45
o-xylene	536.32
formic acid	22.39
diethyl ether	1337.98
m-xylene	634.46
p-xylene	570.19
chlorobenzene	688.23
dimethyl carbonate	148.0
n-octane	254.63
formamide	46.88
cyclopentanone	715.07
2-pentanone	665.8
anisole	625.43
cyclopentyl methyl ether	947.07
gamma-butyrolactone	578.61
1-methoxy-2-propanol	442.33
pyridine	1228.74
3-pentanone	558.89
furfural	440.48
n-dodecane	144.25
diethylene glycol	260.78
diisopropyl ether	514.03
tert-amyl alcohol	689.19
acetylacetone	538.93
n-hexadecane	166.22
acetophenone	402.88
methyl propionate	473.07
isopentyl acetate	975.77
trichloroethylene	1338.84
n-nonanol	423.14
cyclohexanol	620.37
benzyl alcohol	290.38
2-ethylhexanol	881.2
isooctanol	345.13
dipropyl ether	1541.11
1,2-dichlorobenzene	561.71
ethyl lactate	146.7
propylene carbonate	417.45
n-methylformamide	115.28
2-pentanol	547.85
n-pentane	542.88
1-propoxy-2-propanol	745.96
1-methoxy-2-propyl acetate	734.89
2-(2-methoxypropoxy) propanol	473.0
mesitylene	413.69
ε-caprolactone	700.73
p-cymene	513.56
epichlorohydrin	822.19
1,1,1-trichloroethane	1327.18
2-aminoethanol	106.09
morpholine-4-carbaldehyde	426.26
sulfolane	483.4
2,2,4-trimethylpentane	196.9
2-methyltetrahydrofuran	1510.77
n-hexyl acetate	727.14
isooctane	200.59
2-(2-butoxyethoxy)ethanol	603.36
sec-butyl acetate	388.03
tert-butyl acetate	617.36
decalin	298.04
glycerin	104.34
diglyme	1003.44
acrylic acid	156.62
isopropyl myristate	377.06
n-butyric acid	494.63
acetyl acetate	478.09
di(2-ethylhexyl) phthalate	242.72
ethyl propionate	444.6
nitromethane	293.22
1,2-diethoxyethane	1275.74
benzonitrile	515.32
trioctyl phosphate	179.4
1-bromopropane	1281.22
gamma-valerolactone	650.76
n-decanol	321.9
triethyl phosphate	270.79
4-methyl-2-pentanol	350.17
propionitrile	654.97
vinylene carbonate	347.44
1,1,2-trichlorotrifluoroethane	359.49
DMS	353.47
cumene	352.21
2-octanol	312.56
2-hexanone	511.43
octyl acetate	427.09
limonene	805.32
1,2-dimethoxyethane	734.31
ethyl orthosilicate	304.17
tributyl phosphate	231.18
diacetone alcohol	429.25
N,N-dimethylaniline	423.52
acrylonitrile	463.15
aniline	570.49
1,3-propanediol	189.48
bromobenzene	935.14
dibromomethane	1467.6
1,1,2,2-tetrachloroethane	1149.78
2-methyl-cyclohexyl acetate	538.2
tetrabutyl urea	300.28
diisobutyl methanol	493.08
2-phenylethanol	497.85
styrene	598.2
dioctyl adipate	408.17
dimethyl sulfate	156.71
ethyl butyrate	883.67
methyl lactate	137.56
butyl lactate	248.42
diethyl carbonate	499.35
propanediol butyl ether	270.22
triethyl orthoformate	563.87
p-tert-butyltoluene	489.47
methyl 4-tert-butylbenzoate	432.54
morpholine	1361.96
tert-butylamine	700.5
n-dodecanol	266.15
dimethoxymethane	409.77
ethylene carbonate	349.56
cyrene	228.3
2-ethoxyethyl acetate	560.47
2-ethylhexyl acetate	904.83
1,2,4-trichlorobenzene	602.73
4-methylpyridine	1033.28
dibutyl ether	971.12
2,6-dimethyl-4-heptanol	493.08
DEF	486.98
dimethyl isosorbide	703.4
tetrachloroethylene	680.88
eugenol	315.57
triacetin	445.88
span 80	451.72
1,4-butanediol	80.63
1,1-dichloroethane	1132.59
2-methyl-1-pentanol	410.72
methyl formate	88.54
2-methyl-1-butanol	483.9
n-decane	254.78
butyronitrile	800.02
3,7-dimethyl-1-octanol	494.35
1-chlorooctane	518.62
1-chlorotetradecane	229.89
n-nonane	292.9
undecane	180.85
tert-butylcyclohexane	262.11
cyclooctane	426.7
cyclopentanol	470.63
tetrahydropyran	2007.4
tert-amyl methyl ether	752.49
2,5,8-trioxanonane	742.73
1-hexene	1105.67
2-isopropoxyethanol	297.66
2,2,2-trifluoroethanol	51.69
methyl butyrate	508.3

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