Molecular formula
C10H16O2S

SMILES
CC(C)[C@@H]1COC(=O)[C@H](S1)CC=C

Fragrance
Green	48.09%
Fruity	43.53%
Roasted	36.2%
Tropical	31.78%
Meaty	30.2%
Sulfurous	29.52%
Nutty	29.2%
Onion	26.18%
Cooked	25.68%
Spicy	23.67%

 

Flavor
Green	26.99%
Spice	22.82%
Tropical	22.04%
Minty	21.83%
Roasted	21.65%
Herbal	19.97%
Cedarleaf	19.96%
Others	19.88%
Sulfurous	19.77%
Diphenyl oxide	19.59%

 

Odor impact est.
Medium

XLogP3-AA
3.1

pKa est.
6.13 (neutral)

Molecular weight
200.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
279°C

Flash point

• 107.86 ˚C est.

Applications of the compound (3R,5R)-5-propan-2-yl-3-prop-2-enyl-1,4-oxathian-2-one are focused on fragrance and odorant uses and as a versatile synthetic intermediate in industry; it may serve as a fragrance ingredient or aroma chemical in perfumery and flavor supply chains; in cosmetics/personal care it can function as a scent component; in household and cleaning products it may act as an aromatic additive; in industrial manufacturing it can be used as an intermediate for the synthesis of specialty chemicals or as a precursor in polymer chemistry; it may also find use in coatings and inks as an odorant additive. This usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	218.75
methanol	178.07
isopropanol	224.06
water	0.39
ethyl acetate	245.57
n-propanol	202.14
acetone	444.79
n-butanol	188.87
acetonitrile	218.94
DMF	602.57
toluene	203.54
isobutanol	175.98
1,4-dioxane	567.4
methyl acetate	283.8
THF	754.25
2-butanone	370.9
n-pentanol	145.2
sec-butanol	191.36
n-hexane	4.45
ethylene glycol	41.25
NMP	637.96
cyclohexane	30.72
DMSO	534.62
n-butyl acetate	258.81
n-octanol	97.16
chloroform	1016.85
n-propyl acetate	169.82
acetic acid	306.49
dichloromethane	765.88
cyclohexanone	711.73
propylene glycol	89.05
isopropyl acetate	166.46
DMAc	445.41
2-ethoxyethanol	186.21
isopentanol	181.43
n-heptane	5.53
ethyl formate	208.23
1,2-dichloroethane	453.32
n-hexanol	190.21
2-methoxyethanol	284.42
isobutyl acetate	122.19
tetrachloromethane	88.98
n-pentyl acetate	160.91
transcutol	758.97
n-heptanol	97.05
ethylbenzene	94.72
MIBK	173.26
2-propoxyethanol	293.15
tert-butanol	263.83
MTBE	177.01
2-butoxyethanol	168.87
propionic acid	224.0
o-xylene	144.48
formic acid	65.44
diethyl ether	131.19
m-xylene	154.95
p-xylene	136.85
chlorobenzene	359.58
dimethyl carbonate	80.32
n-octane	4.23
formamide	106.78
cyclopentanone	731.84
2-pentanone	273.09
anisole	194.01
cyclopentyl methyl ether	274.96
gamma-butyrolactone	703.12
1-methoxy-2-propanol	259.7
pyridine	555.84
3-pentanone	176.57
furfural	677.74
n-dodecane	5.87
diethylene glycol	216.88
diisopropyl ether	48.93
tert-amyl alcohol	195.76
acetylacetone	303.09
n-hexadecane	7.12
acetophenone	235.34
methyl propionate	181.57
isopentyl acetate	234.38
trichloroethylene	1131.97
n-nonanol	86.18
cyclohexanol	277.92
benzyl alcohol	200.61
2-ethylhexanol	110.35
isooctanol	81.58
dipropyl ether	68.96
1,2-dichlorobenzene	310.51
ethyl lactate	94.98
propylene carbonate	421.37
n-methylformamide	224.79
2-pentanol	139.99
n-pentane	6.31
1-propoxy-2-propanol	220.83
1-methoxy-2-propyl acetate	253.56
2-(2-methoxypropoxy) propanol	189.67
mesitylene	98.47
ε-caprolactone	541.34
p-cymene	72.54
epichlorohydrin	714.25
1,1,1-trichloroethane	459.24
2-aminoethanol	94.77
morpholine-4-carbaldehyde	580.24
sulfolane	775.35
2,2,4-trimethylpentane	8.69
2-methyltetrahydrofuran	488.04
n-hexyl acetate	226.83
isooctane	7.99
2-(2-butoxyethoxy)ethanol	256.58
sec-butyl acetate	121.98
tert-butyl acetate	191.65
decalin	16.96
glycerin	122.35
diglyme	427.35
acrylic acid	200.92
isopropyl myristate	86.33
n-butyric acid	303.12
acetyl acetate	182.44
di(2-ethylhexyl) phthalate	108.37
ethyl propionate	121.17
nitromethane	485.73
1,2-diethoxyethane	214.49
benzonitrile	344.11
trioctyl phosphate	75.31
1-bromopropane	185.54
gamma-valerolactone	861.92
n-decanol	65.64
triethyl phosphate	82.05
4-methyl-2-pentanol	91.96
propionitrile	193.2
vinylene carbonate	401.01
1,1,2-trichlorotrifluoroethane	419.44
DMS	178.54
cumene	67.07
2-octanol	76.51
2-hexanone	186.48
octyl acetate	109.95
limonene	101.7
1,2-dimethoxyethane	306.13
ethyl orthosilicate	76.55
tributyl phosphate	90.23
diacetone alcohol	246.69
N,N-dimethylaniline	124.66
acrylonitrile	275.07
aniline	250.31
1,3-propanediol	161.21
bromobenzene	365.33
dibromomethane	466.71
1,1,2,2-tetrachloroethane	796.2
2-methyl-cyclohexyl acetate	161.75
tetrabutyl urea	113.98
diisobutyl methanol	73.29
2-phenylethanol	224.32
styrene	123.54
dioctyl adipate	126.01
dimethyl sulfate	156.76
ethyl butyrate	150.98
methyl lactate	114.38
butyl lactate	147.77
diethyl carbonate	105.64
propanediol butyl ether	203.98
triethyl orthoformate	108.42
p-tert-butyltoluene	70.66
methyl 4-tert-butylbenzoate	193.22
morpholine	576.07
tert-butylamine	132.34
n-dodecanol	49.73
dimethoxymethane	211.66
ethylene carbonate	312.23
cyrene	229.5
2-ethoxyethyl acetate	226.04
2-ethylhexyl acetate	182.88
1,2,4-trichlorobenzene	392.56
4-methylpyridine	531.61
dibutyl ether	83.81
2,6-dimethyl-4-heptanol	73.29
DEF	261.49
dimethyl isosorbide	351.27
tetrachloroethylene	454.61
eugenol	192.03
triacetin	226.25
span 80	192.42
1,4-butanediol	77.58
1,1-dichloroethane	501.99
2-methyl-1-pentanol	144.29
methyl formate	201.37
2-methyl-1-butanol	169.21
n-decane	8.93
butyronitrile	237.22
3,7-dimethyl-1-octanol	106.96
1-chlorooctane	59.48
1-chlorotetradecane	24.44
n-nonane	7.33
undecane	7.08
tert-butylcyclohexane	14.39
cyclooctane	8.72
cyclopentanol	301.27
tetrahydropyran	492.48
tert-amyl methyl ether	127.94
2,5,8-trioxanonane	291.32
1-hexene	36.05
2-isopropoxyethanol	152.12
2,2,2-trifluoroethanol	107.14
methyl butyrate	181.57

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