Molecular formula
C10H16O3

SMILES
CC(=C)C1CCC2(OC(C1)OO2)C

Fragrance
Herbal	57.18%
Sweet	52.47%
Spicy	47.92%
Mint	43.51%
Green	41.45%
Fruity	37.12%
Woody	36.31%
Fresh	35.74%
Citrus	33.81%
Floral	27.52%

 

Flavor
Green	66.73%
Minty	46.4%
Herbal	33.93%
Spice	30.71%
Earthy	27.55%
Fresh	26.88%
Mint	25.55%
Pepper	23.13%
Tropical	21.97%
Wood	21.65%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
8.87 (weak base)

Molecular weight
184.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
234°C

Flash point

• 96.8 ˚C est.

• r-limonene
• JRFITZGBELIFQM-UHFFFAOYSA-N
• 1-methyl-4-(prop1-en-2-yl)-7,8,9-trioxabicyclo[4.2.1]nonane

r-Limonene is widely used as a citrus fragrance/odorant in the fragrance and flavor industries and as a component in cosmetics and personal care products; it also serves as a solvent and fragrance carrier in household and industrial cleaners; it functions as a solvent for coatings, paints, and inks and as a constituent in adhesive formulations; it acts as a renewable feedstock for polymer chemistry, enabling the synthesis of limonene oxide derivatives and poly(limonene carbonate) and other environmentally friendly polymers; it is employed as a chiral starting material or intermediate in organic synthesis for fragrance compounds and pharmaceutical intermediates; and it can appear as a natural flavor/aroma in foods within regulatory limits, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	772.77
methanol	1231.0
isopropanol	531.73
water	21.78
ethyl acetate	837.48
n-propanol	504.39
acetone	857.0
n-butanol	405.3
acetonitrile	1027.17
DMF	1402.43
toluene	568.07
isobutanol	369.99
1,4-dioxane	2361.41
methyl acetate	938.05
THF	1303.98
2-butanone	715.59
n-pentanol	290.81
sec-butanol	416.56
n-hexane	15.5
ethylene glycol	262.78
NMP	1076.08
cyclohexane	75.35
DMSO	900.37
n-butyl acetate	358.0
n-octanol	200.07
chloroform	2774.8
n-propyl acetate	378.77
acetic acid	1035.35
dichloromethane	2310.86
cyclohexanone	890.92
propylene glycol	280.08
isopropyl acetate	421.26
DMAc	1290.56
2-ethoxyethanol	677.0
isopentanol	363.87
n-heptane	18.03
ethyl formate	680.86
1,2-dichloroethane	889.1
n-hexanol	286.47
2-methoxyethanol	1199.6
isobutyl acetate	226.05
tetrachloromethane	262.66
n-pentyl acetate	253.77
transcutol	2172.43
n-heptanol	147.12
ethylbenzene	240.72
MIBK	294.84
2-propoxyethanol	675.72
tert-butanol	533.64
MTBE	416.33
2-butoxyethanol	375.66
propionic acid	567.95
o-xylene	331.78
formic acid	714.16
diethyl ether	436.75
m-xylene	300.08
p-xylene	366.65
chlorobenzene	716.62
dimethyl carbonate	392.42
n-octane	11.6
formamide	1071.0
cyclopentanone	810.06
2-pentanone	425.33
anisole	658.12
cyclopentyl methyl ether	456.72
gamma-butyrolactone	1114.49
1-methoxy-2-propanol	713.61
pyridine	1416.57
3-pentanone	362.08
furfural	1463.84
n-dodecane	18.86
diethylene glycol	647.74
diisopropyl ether	124.28
tert-amyl alcohol	388.83
acetylacetone	788.21
n-hexadecane	21.81
acetophenone	562.01
methyl propionate	583.72
isopentyl acetate	331.38
trichloroethylene	1878.35
n-nonanol	183.03
cyclohexanol	453.09
benzyl alcohol	518.89
2-ethylhexanol	167.41
isooctanol	125.26
dipropyl ether	158.74
1,2-dichlorobenzene	612.85
ethyl lactate	211.72
propylene carbonate	729.58
n-methylformamide	896.05
2-pentanol	227.43
n-pentane	23.19
1-propoxy-2-propanol	347.31
1-methoxy-2-propyl acetate	478.53
2-(2-methoxypropoxy) propanol	464.43
mesitylene	158.85
ε-caprolactone	835.45
p-cymene	121.38
epichlorohydrin	1337.98
1,1,1-trichloroethane	795.22
2-aminoethanol	422.21
morpholine-4-carbaldehyde	1795.39
sulfolane	860.52
2,2,4-trimethylpentane	19.67
2-methyltetrahydrofuran	878.35
n-hexyl acetate	418.93
isooctane	13.27
2-(2-butoxyethoxy)ethanol	672.33
sec-butyl acetate	263.33
tert-butyl acetate	369.93
decalin	39.94
glycerin	409.78
diglyme	1331.47
acrylic acid	551.57
isopropyl myristate	164.58
n-butyric acid	621.98
acetyl acetate	747.5
di(2-ethylhexyl) phthalate	201.58
ethyl propionate	363.77
nitromethane	1896.94
1,2-diethoxyethane	629.08
benzonitrile	797.83
trioctyl phosphate	122.26
1-bromopropane	420.43
gamma-valerolactone	1637.54
n-decanol	137.22
triethyl phosphate	171.26
4-methyl-2-pentanol	156.82
propionitrile	610.34
vinylene carbonate	874.48
1,1,2-trichlorotrifluoroethane	883.39
DMS	483.17
cumene	147.66
2-octanol	109.15
2-hexanone	309.3
octyl acetate	216.64
limonene	156.11
1,2-dimethoxyethane	1210.5
ethyl orthosilicate	156.4
tributyl phosphate	170.95
diacetone alcohol	407.35
N,N-dimethylaniline	361.32
acrylonitrile	845.34
aniline	645.22
1,3-propanediol	573.9
bromobenzene	769.03
dibromomethane	1205.82
1,1,2,2-tetrachloroethane	1336.41
2-methyl-cyclohexyl acetate	257.33
tetrabutyl urea	209.07
diisobutyl methanol	98.39
2-phenylethanol	452.84
styrene	329.33
dioctyl adipate	270.21
dimethyl sulfate	504.85
ethyl butyrate	300.96
methyl lactate	304.77
butyl lactate	215.2
diethyl carbonate	272.45
propanediol butyl ether	371.81
triethyl orthoformate	217.35
p-tert-butyltoluene	112.47
methyl 4-tert-butylbenzoate	359.4
morpholine	1998.76
tert-butylamine	326.48
n-dodecanol	109.25
dimethoxymethane	874.9
ethylene carbonate	718.82
cyrene	414.22
2-ethoxyethyl acetate	475.22
2-ethylhexyl acetate	267.0
1,2,4-trichlorobenzene	728.98
4-methylpyridine	1288.03
dibutyl ether	210.73
2,6-dimethyl-4-heptanol	98.39
DEF	612.79
dimethyl isosorbide	744.04
tetrachloroethylene	796.34
eugenol	390.24
triacetin	506.6
span 80	348.23
1,4-butanediol	248.39
1,1-dichloroethane	939.36
2-methyl-1-pentanol	289.31
methyl formate	808.33
2-methyl-1-butanol	328.95
n-decane	25.9
butyronitrile	570.74
3,7-dimethyl-1-octanol	210.29
1-chlorooctane	112.86
1-chlorotetradecane	58.54
n-nonane	21.29
undecane	21.5
tert-butylcyclohexane	29.25
cyclooctane	19.77
cyclopentanol	449.78
tetrahydropyran	1095.78
tert-amyl methyl ether	282.63
2,5,8-trioxanonane	943.13
1-hexene	84.88
2-isopropoxyethanol	424.07
2,2,2-trifluoroethanol	427.67
methyl butyrate	452.75

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