Molecular formula
C13H14O2

SMILES
CC#CC#CCC1C=CC2(O1)CCCO2

Sweet	48.67%
Spicy	36.18%
Floral	29.65%
Warm	20.13%
Roasted	19.62%
Meaty	18.92%
Woody	18.09%
Vanilla	17.29%
Nutty	17.11%
Cinnamon	16.8%

Scent© AI

XLogP3-AA
2.1

Molecular weight
202.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
324°C

Flash point est.
127.45 ˚C

• Spiro-ether
• NJLYCNZOTQCQMC-UHFFFAOYSA-N

Solvent	Solubility (g/L)
ethanol	184.78
methanol	227.57
isopropanol	134.46
water	1.27
ethyl acetate	360.56
n-propanol	160.58
acetone	349.31
n-butanol	177.6
acetonitrile	312.9
DMF	416.15
toluene	228.77
isobutanol	135.5
1,4-dioxane	526.94
methyl acetate	349.21
THF	557.58
2-butanone	336.67
n-pentanol	169.85
sec-butanol	143.28
n-hexane	47.09
ethylene glycol	103.3
NMP	455.75
cyclohexane	62.15
DMSO	759.51
n-butyl acetate	240.95
n-octanol	113.83
chloroform	1340.73
n-propyl acetate	265.97
acetic acid	341.17
dichloromethane	1388.29
cyclohexanone	432.18
propylene glycol	100.39
isopropyl acetate	275.25
DMAc	609.88
2-ethoxyethanol	379.8
isopentanol	189.5
n-heptane	29.88
ethyl formate	193.31
1,2-dichloroethane	692.38
n-hexanol	162.34
2-methoxyethanol	438.36
isobutyl acetate	213.44
tetrachloromethane	169.51
n-pentyl acetate	174.56
transcutol	1421.47
n-heptanol	84.88
ethylbenzene	142.71
MIBK	252.67
2-propoxyethanol	354.39
tert-butanol	186.92
MTBE	234.19
2-butoxyethanol	206.03
propionic acid	220.29
o-xylene	149.68
formic acid	172.2
diethyl ether	291.58
m-xylene	163.23
p-xylene	171.21
chlorobenzene	361.85
dimethyl carbonate	234.96
n-octane	15.65
formamide	242.26
cyclopentanone	482.74
2-pentanone	284.88
anisole	361.34
cyclopentyl methyl ether	321.52
gamma-butyrolactone	564.92
1-methoxy-2-propanol	354.53
pyridine	414.87
3-pentanone	280.95
furfural	575.41
n-dodecane	20.01
diethylene glycol	338.65
diisopropyl ether	130.71
tert-amyl alcohol	179.01
acetylacetone	484.89
n-hexadecane	22.58
acetophenone	343.42
methyl propionate	291.23
isopentyl acetate	246.22
trichloroethylene	1178.53
n-nonanol	109.99
cyclohexanol	183.61
benzyl alcohol	242.8
2-ethylhexanol	121.83
isooctanol	84.38
dipropyl ether	158.35
1,2-dichlorobenzene	392.19
ethyl lactate	176.0
propylene carbonate	363.65
n-methylformamide	223.25
2-pentanol	136.93
n-pentane	36.04
1-propoxy-2-propanol	231.42
1-methoxy-2-propyl acetate	323.29
2-(2-methoxypropoxy) propanol	338.89
mesitylene	120.95
ε-caprolactone	406.4
p-cymene	89.87
epichlorohydrin	706.33
1,1,1-trichloroethane	535.94
2-aminoethanol	147.7
morpholine-4-carbaldehyde	596.7
sulfolane	666.22
2,2,4-trimethylpentane	32.11
2-methyltetrahydrofuran	386.62
n-hexyl acetate	284.07
isooctane	27.73
2-(2-butoxyethoxy)ethanol	402.79
sec-butyl acetate	228.1
tert-butyl acetate	309.73
decalin	56.39
glycerin	201.39
diglyme	697.86
acrylic acid	231.18
isopropyl myristate	141.59
n-butyric acid	279.04
acetyl acetate	382.28
di(2-ethylhexyl) phthalate	138.9
ethyl propionate	257.63
nitromethane	611.27
1,2-diethoxyethane	373.25
benzonitrile	299.95
trioctyl phosphate	95.5
1-bromopropane	350.37
gamma-valerolactone	596.52
n-decanol	85.82
triethyl phosphate	158.17
4-methyl-2-pentanol	122.3
propionitrile	226.75
vinylene carbonate	387.45
1,1,2-trichlorotrifluoroethane	539.17
DMS	334.61
cumene	114.15
2-octanol	66.84
2-hexanone	248.89
octyl acetate	164.36
limonene	120.24
1,2-dimethoxyethane	538.7
ethyl orthosilicate	148.15
tributyl phosphate	136.11
diacetone alcohol	281.76
N,N-dimethylaniline	240.98
acrylonitrile	311.0
aniline	237.8
1,3-propanediol	200.51
bromobenzene	438.08
dibromomethane	822.69
1,1,2,2-tetrachloroethane	879.38
2-methyl-cyclohexyl acetate	212.69
tetrabutyl urea	165.16
diisobutyl methanol	89.4
2-phenylethanol	199.3
styrene	191.63
dioctyl adipate	218.6
dimethyl sulfate	389.78
ethyl butyrate	226.32
methyl lactate	205.2
butyl lactate	153.63
diethyl carbonate	199.76
propanediol butyl ether	222.96
triethyl orthoformate	189.11
p-tert-butyltoluene	86.9
methyl 4-tert-butylbenzoate	269.23
morpholine	469.14
tert-butylamine	132.3
n-dodecanol	70.9
dimethoxymethane	429.09
ethylene carbonate	310.62
cyrene	306.29
2-ethoxyethyl acetate	300.78
2-ethylhexyl acetate	202.69
1,2,4-trichlorobenzene	447.16
4-methylpyridine	367.33
dibutyl ether	171.68
2,6-dimethyl-4-heptanol	89.4
DEF	343.85
dimethyl isosorbide	441.01
tetrachloroethylene	540.84
eugenol	254.89
triacetin	405.83
span 80	238.87
1,4-butanediol	125.11
1,1-dichloroethane	535.16
2-methyl-1-pentanol	186.65
methyl formate	194.57
2-methyl-1-butanol	171.84
n-decane	27.08
butyronitrile	218.72
3,7-dimethyl-1-octanol	136.48
1-chlorooctane	105.0
1-chlorotetradecane	56.0
n-nonane	24.33
undecane	22.59
tert-butylcyclohexane	49.04
cyclooctane	28.68
cyclopentanol	163.7
tetrahydropyran	360.93
tert-amyl methyl ether	209.06
2,5,8-trioxanonane	568.51
1-hexene	123.5
2-isopropoxyethanol	286.03
2,2,2-trifluoroethanol	182.09
methyl butyrate	286.56

Scent© AI