Molecular formula
C9H14O3

SMILES
CC=CC(=O)OC1CCCCO1

Fragrance
Fruity	65.93%
Sweet	52.88%
Green	49.99%
Herbal	47.51%
Woody	44.18%
Floral	39.35%
Spicy	37.84%
Apple	37.26%
Fresh	32.39%
Caramellic	32.13%

 

Flavor
Fruity	28.04%
Caramel	22.41%
Cotton candy	18.56%
Extremely sweet	18.48%
Maple syrup	18.35%
Seedy	18.33%
Leaves	18.07%
Ethyl benzoate	18.06%
Toffee	17.89%
Fenugreek	17.86%

 

Odor impact est.
Medium

XLogP3-AA
1.8

pKa est.
7.07 (neutral)

Molecular weight
170.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
233°C

Flash point

• 97.57 ˚C est.

Oxan-2-yl but-2-enoate (CAS number: ) is an unsaturated ester that serves as a versatile intermediate in organic synthesis. Real-world applications include use as a monomer or co-monomer for crotonate-containing polymers and related plastics; as a reactive component or processing solvent in coatings, inks, and adhesives, particularly in UV-curable formulations; employed as an intermediate in pharmaceutical and agrochemical synthesis to construct more complex crotonate derivatives; may function as a fragrance ingredient or precursor in flavor/fragrance formulations; and as a convenient research and development intermediate to explore new crotonate-based compounds and applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	509.19
methanol	675.14
isopropanol	369.7
water	0.81
ethyl acetate	244.8
n-propanol	336.01
acetone	434.48
n-butanol	327.18
acetonitrile	261.42
DMF	730.64
toluene	133.25
isobutanol	256.33
1,4-dioxane	458.8
methyl acetate	229.45
THF	663.45
2-butanone	259.83
n-pentanol	224.85
sec-butanol	292.78
n-hexane	17.29
ethylene glycol	115.48
NMP	567.19
cyclohexane	47.86
DMSO	804.72
n-butyl acetate	211.22
n-octanol	115.15
chloroform	1218.06
n-propyl acetate	156.23
acetic acid	888.56
dichloromethane	951.34
cyclohexanone	485.1
propylene glycol	177.9
isopropyl acetate	164.09
DMAc	511.21
2-ethoxyethanol	252.85
isopentanol	267.15
n-heptane	10.57
ethyl formate	200.27
1,2-dichloroethane	506.97
n-hexanol	215.13
2-methoxyethanol	491.06
isobutyl acetate	108.34
tetrachloromethane	70.82
n-pentyl acetate	122.13
transcutol	904.71
n-heptanol	89.05
ethylbenzene	80.37
MIBK	148.11
2-propoxyethanol	312.35
tert-butanol	403.69
MTBE	197.1
2-butoxyethanol	170.55
propionic acid	360.69
o-xylene	95.57
formic acid	219.91
diethyl ether	175.31
m-xylene	96.33
p-xylene	113.84
chlorobenzene	276.43
dimethyl carbonate	110.78
n-octane	6.81
formamide	244.34
cyclopentanone	517.46
2-pentanone	225.46
anisole	176.94
cyclopentyl methyl ether	241.72
gamma-butyrolactone	592.37
1-methoxy-2-propanol	371.52
pyridine	499.44
3-pentanone	150.58
furfural	543.85
n-dodecane	9.61
diethylene glycol	286.0
diisopropyl ether	54.45
tert-amyl alcohol	291.81
acetylacetone	281.92
n-hexadecane	10.88
acetophenone	188.25
methyl propionate	192.82
isopentyl acetate	183.35
trichloroethylene	1006.71
n-nonanol	98.63
cyclohexanol	323.33
benzyl alcohol	199.57
2-ethylhexanol	118.17
isooctanol	76.02
dipropyl ether	85.96
1,2-dichlorobenzene	249.66
ethyl lactate	115.71
propylene carbonate	353.47
n-methylformamide	299.01
2-pentanol	202.37
n-pentane	17.1
1-propoxy-2-propanol	221.5
1-methoxy-2-propyl acetate	188.61
2-(2-methoxypropoxy) propanol	222.32
mesitylene	64.26
ε-caprolactone	396.63
p-cymene	57.0
epichlorohydrin	605.8
1,1,1-trichloroethane	368.31
2-aminoethanol	223.59
morpholine-4-carbaldehyde	465.44
sulfolane	713.69
2,2,4-trimethylpentane	16.31
2-methyltetrahydrofuran	402.49
n-hexyl acetate	201.52
isooctane	11.76
2-(2-butoxyethoxy)ethanol	292.31
sec-butyl acetate	114.47
tert-butyl acetate	168.62
decalin	26.59
glycerin	233.14
diglyme	440.76
acrylic acid	374.99
isopropyl myristate	83.49
n-butyric acid	499.74
acetyl acetate	223.26
di(2-ethylhexyl) phthalate	103.45
ethyl propionate	139.67
nitromethane	684.13
1,2-diethoxyethane	190.32
benzonitrile	270.02
trioctyl phosphate	72.27
1-bromopropane	258.91
gamma-valerolactone	567.86
n-decanol	75.33
triethyl phosphate	85.35
4-methyl-2-pentanol	113.34
propionitrile	229.36
vinylene carbonate	354.66
1,1,2-trichlorotrifluoroethane	502.38
DMS	164.98
cumene	61.31
2-octanol	67.37
2-hexanone	163.15
octyl acetate	110.17
limonene	84.25
1,2-dimethoxyethane	363.03
ethyl orthosilicate	77.3
tributyl phosphate	91.98
diacetone alcohol	220.0
N,N-dimethylaniline	126.46
acrylonitrile	315.37
aniline	234.03
1,3-propanediol	323.32
bromobenzene	289.5
dibromomethane	630.03
1,1,2,2-tetrachloroethane	821.59
2-methyl-cyclohexyl acetate	130.51
tetrabutyl urea	118.38
diisobutyl methanol	70.42
2-phenylethanol	185.64
styrene	120.28
dioctyl adipate	136.42
dimethyl sulfate	180.59
ethyl butyrate	137.35
methyl lactate	159.13
butyl lactate	135.63
diethyl carbonate	114.26
propanediol butyl ether	228.68
triethyl orthoformate	103.95
p-tert-butyltoluene	54.31
methyl 4-tert-butylbenzoate	169.55
morpholine	559.77
tert-butylamine	210.21
n-dodecanol	59.45
dimethoxymethane	281.31
ethylene carbonate	271.88
cyrene	202.24
2-ethoxyethyl acetate	164.43
2-ethylhexyl acetate	134.59
1,2,4-trichlorobenzene	296.49
4-methylpyridine	416.5
dibutyl ether	106.31
2,6-dimethyl-4-heptanol	70.42
DEF	290.3
dimethyl isosorbide	282.56
tetrachloroethylene	484.34
eugenol	187.45
triacetin	211.48
span 80	209.82
1,4-butanediol	133.05
1,1-dichloroethane	475.52
2-methyl-1-pentanol	200.45
methyl formate	225.61
2-methyl-1-butanol	241.09
n-decane	13.66
butyronitrile	281.16
3,7-dimethyl-1-octanol	121.64
1-chlorooctane	68.8
1-chlorotetradecane	31.51
n-nonane	12.09
undecane	11.17
tert-butylcyclohexane	22.37
cyclooctane	12.44
cyclopentanol	345.99
tetrahydropyran	440.54
tert-amyl methyl ether	141.43
2,5,8-trioxanonane	345.34
1-hexene	85.52
2-isopropoxyethanol	171.39
2,2,2-trifluoroethanol	197.93
methyl butyrate	196.38

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