Molecular formula
C9H14O4

SMILES
CCOC(=O)C1CC=CC(O1)OC

Fragrance
Fruity	77.74%
Sweet	50.9%
Caramellic	42.23%
Herbal	34.04%
Ethereal	33.4%
Green	31.74%
Apple	28.2%
Tropical	27.71%
Winey	26.69%
Nutty	26.28%

 

Flavor
Fruity	61.28%
Bitter	39.54%
Fatty	27.81%
Fruit	26.83%
Caramel	24.54%
Grape	23.95%
Tropical	23.38%
Pineapple	23.34%
Berry	22.57%
Floral	21.56%

 

Odor impact est.
Medium

XLogP3-AA
1.1

pKa est.
5.74 (weak acid)

Molecular weight
186.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
233°C

Flash point

• 94.7 ˚C est.

• ZOTGPTQNWLHTNN-UHFFFAOYSA-N
• 2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, ethyl ester
• Ethyl 6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate #

2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, ethyl ester is primarily used as an organic synthesis intermediate, enabling the construction of heterocyclic frameworks for pharmaceutical and agrochemical candidates; it is also evaluated as a precursor or odor-active component in fragrance and flavor chemistry; in materials contexts, it can serve as a building block for specialty polymers, coatings, and inks or as a starting point for functional additives in these sectors; in cosmetics and personal care, it may be explored as a fragrance ingredient or fragrance intermediate; and it is commonly considered in research and development workflows as a versatile reagent for expanding chemical libraries.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	344.13
methanol	626.98
isopropanol	207.8
water	9.94
ethyl acetate	425.57
n-propanol	221.26
acetone	550.18
n-butanol	205.42
acetonitrile	659.54
DMF	651.34
toluene	167.29
isobutanol	173.93
1,4-dioxane	481.74
methyl acetate	366.64
THF	428.07
2-butanone	309.89
n-pentanol	162.11
sec-butanol	189.59
n-hexane	9.79
ethylene glycol	169.14
NMP	602.09
cyclohexane	34.73
DMSO	1086.76
n-butyl acetate	206.43
n-octanol	69.08
chloroform	1287.49
n-propyl acetate	213.81
acetic acid	1245.31
dichloromethane	1526.68
cyclohexanone	422.15
propylene glycol	101.23
isopropyl acetate	202.25
DMAc	605.72
2-ethoxyethanol	386.0
isopentanol	191.82
n-heptane	8.48
ethyl formate	335.04
1,2-dichloroethane	766.61
n-hexanol	110.1
2-methoxyethanol	551.62
isobutyl acetate	124.8
tetrachloromethane	132.81
n-pentyl acetate	113.98
transcutol	762.61
n-heptanol	60.84
ethylbenzene	97.32
MIBK	149.49
2-propoxyethanol	238.02
tert-butanol	338.77
MTBE	208.76
2-butoxyethanol	148.82
propionic acid	391.96
o-xylene	134.37
formic acid	663.17
diethyl ether	213.15
m-xylene	118.57
p-xylene	134.09
chlorobenzene	327.16
dimethyl carbonate	179.67
n-octane	5.86
formamide	831.56
cyclopentanone	465.24
2-pentanone	241.35
anisole	216.57
cyclopentyl methyl ether	205.69
gamma-butyrolactone	693.96
1-methoxy-2-propanol	295.64
pyridine	544.18
3-pentanone	206.3
furfural	736.46
n-dodecane	7.58
diethylene glycol	275.39
diisopropyl ether	55.8
tert-amyl alcohol	266.86
acetylacetone	370.62
n-hexadecane	8.63
acetophenone	253.1
methyl propionate	285.48
isopentyl acetate	171.69
trichloroethylene	1515.9
n-nonanol	61.36
cyclohexanol	246.07
benzyl alcohol	231.71
2-ethylhexanol	82.67
isooctanol	56.11
dipropyl ether	71.28
1,2-dichlorobenzene	302.85
ethyl lactate	122.57
propylene carbonate	370.21
n-methylformamide	448.48
2-pentanol	136.3
n-pentane	12.85
1-propoxy-2-propanol	137.96
1-methoxy-2-propyl acetate	170.89
2-(2-methoxypropoxy) propanol	162.04
mesitylene	79.07
ε-caprolactone	376.53
p-cymene	62.91
epichlorohydrin	707.31
1,1,1-trichloroethane	515.22
2-aminoethanol	218.24
morpholine-4-carbaldehyde	548.06
sulfolane	757.85
2,2,4-trimethylpentane	15.82
2-methyltetrahydrofuran	321.6
n-hexyl acetate	158.55
isooctane	9.01
2-(2-butoxyethoxy)ethanol	208.05
sec-butyl acetate	136.05
tert-butyl acetate	180.86
decalin	23.13
glycerin	212.7
diglyme	422.78
acrylic acid	452.43
isopropyl myristate	63.75
n-butyric acid	474.11
acetyl acetate	364.54
di(2-ethylhexyl) phthalate	80.7
ethyl propionate	194.5
nitromethane	1466.55
1,2-diethoxyethane	188.3
benzonitrile	330.74
trioctyl phosphate	54.53
1-bromopropane	279.5
gamma-valerolactone	556.29
n-decanol	46.7
triethyl phosphate	94.5
4-methyl-2-pentanol	82.2
propionitrile	331.86
vinylene carbonate	419.02
1,1,2-trichlorotrifluoroethane	596.8
DMS	182.56
cumene	70.52
2-octanol	45.98
2-hexanone	159.47
octyl acetate	83.33
limonene	87.97
1,2-dimethoxyethane	435.21
ethyl orthosilicate	84.94
tributyl phosphate	76.43
diacetone alcohol	201.43
N,N-dimethylaniline	156.17
acrylonitrile	509.84
aniline	261.12
1,3-propanediol	315.37
bromobenzene	355.07
dibromomethane	814.44
1,1,2,2-tetrachloroethane	973.73
2-methyl-cyclohexyl acetate	126.21
tetrabutyl urea	99.39
diisobutyl methanol	52.89
2-phenylethanol	158.54
styrene	139.46
dioctyl adipate	110.73
dimethyl sulfate	305.87
ethyl butyrate	158.63
methyl lactate	169.44
butyl lactate	105.14
diethyl carbonate	133.85
propanediol butyl ether	142.28
triethyl orthoformate	106.89
p-tert-butyltoluene	56.48
methyl 4-tert-butylbenzoate	160.16
morpholine	486.54
tert-butylamine	178.44
n-dodecanol	38.63
dimethoxymethane	342.63
ethylene carbonate	329.99
cyrene	206.73
2-ethoxyethyl acetate	170.34
2-ethylhexyl acetate	135.46
1,2,4-trichlorobenzene	350.05
4-methylpyridine	453.4
dibutyl ether	77.35
2,6-dimethyl-4-heptanol	52.89
DEF	337.3
dimethyl isosorbide	257.95
tetrachloroethylene	680.97
eugenol	169.86
triacetin	193.75
span 80	130.14
1,4-butanediol	146.7
1,1-dichloroethane	626.68
2-methyl-1-pentanol	164.77
methyl formate	431.91
2-methyl-1-butanol	191.46
n-decane	10.74
butyronitrile	317.49
3,7-dimethyl-1-octanol	75.75
1-chlorooctane	52.4
1-chlorotetradecane	24.73
n-nonane	9.45
undecane	8.72
tert-butylcyclohexane	18.14
cyclooctane	11.32
cyclopentanol	228.14
tetrahydropyran	333.41
tert-amyl methyl ether	160.34
2,5,8-trioxanonane	300.53
1-hexene	50.71
2-isopropoxyethanol	226.38
2,2,2-trifluoroethanol	410.12
methyl butyrate	260.98

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