Công thức phân tử
C12H14O2

SMILES
CCC(=O)C=CC1=CC=C(C=C1)OC

Hương thơm
Trái cây	78.07%
Ngọt	70.66%
Caramel	54.13%
Vani	50.69%
Cay	49.67%
Hoa	48.23%
Nhựa thơm	44.53%
Quả mọng	43.01%
Anh đào	42.59%
Phấn	40.04%

 

Hương vị
Sweet	55.49%
Floral	47.24%
Spicy	38.33%
Balsam	37.87%
Cinnamon	36.31%
Spice	29.71%
Honey	27.14%
Vanilla	27.1%
Cherry	26.75%
Chocolate	26.6%

 

Cường độ mùi ước lượng
Trung bình

XLogP3-AA
2.5

pKa ước lượng
7.67 (trung tính)

Khối lượng phân tử
190.24 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực chậm

Điểm sôi ước lượng
304°C

Điểm chớp cháy

• 124.13 ˚C ước lượng

• CID 61008
• DTXSID4047412
• CHEMBL3189032
• SLDQOBRACOQXGE-UHFFFAOYSA-N
• NCGC00248213-01
• DB-040528
• NS00020918

CID 61008 là một hợp chất được sử dụng trong một số ứng dụng công nghiệp: làm chất trung gian trong tổng hợp hữu cơ, làm dung môi hoặc dung môi phụ trong các công thức sản xuất, làm phụ gia xử lý và ổn định cho nhựa và vật liệu polymer, làm phụ gia cho lớp phủ và mực in, và tham gia vào các công thức làm sạch công nghiệp.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	404.01
methanol	449.78
isopropanol	251.11
water	0.63
ethyl acetate	761.31
n-propanol	263.97
acetone	150.88
n-butanol	213.04
acetonitrile	437.35
DMF	135.22
toluene	196.48
isobutanol	141.86
1,4-dioxane	1158.76
methyl acetate	473.98
THF	410.52
2-butanone	254.27
n-pentanol	162.54
sec-butanol	194.21
n-hexane	8.29
ethylene glycol	93.01
NMP	74.83
cyclohexane	22.34
DMSO	288.08
n-butyl acetate	199.15
n-octanol	44.57
chloroform	1138.84
n-propyl acetate	221.02
acetic acid	315.31
dichloromethane	1210.37
cyclohexanone	215.29
propylene glycol	145.78
isopropyl acetate	228.21
DMAc	266.92
2-ethoxyethanol	406.49
isopentanol	155.29
n-heptane	8.93
ethyl formate	207.2
1,2-dichloroethane	610.19
n-hexanol	116.08
2-methoxyethanol	538.65
isobutyl acetate	120.39
tetrachloromethane	82.4
n-pentyl acetate	79.14
transcutol	1110.02
n-heptanol	45.48
ethylbenzene	97.93
MIBK	102.46
2-propoxyethanol	264.06
tert-butanol	340.92
MTBE	252.25
2-butoxyethanol	123.29
propionic acid	213.04
o-xylene	99.32
formic acid	127.61
diethyl ether	405.23
m-xylene	89.11
p-xylene	109.05
chlorobenzene	206.75
dimethyl carbonate	120.32
n-octane	5.16
formamide	270.12
cyclopentanone	158.5
2-pentanone	160.67
anisole	267.43
cyclopentyl methyl ether	144.41
gamma-butyrolactone	258.88
1-methoxy-2-propanol	299.84
pyridine	591.67
3-pentanone	152.59
furfural	345.87
n-dodecane	5.95
diethylene glycol	248.89
diisopropyl ether	61.27
tert-amyl alcohol	220.06
acetylacetone	248.85
n-hexadecane	6.8
acetophenone	177.93
methyl propionate	291.71
isopentyl acetate	166.76
trichloroethylene	1045.68
n-nonanol	46.69
cyclohexanol	151.53
benzyl alcohol	192.66
2-ethylhexanol	67.67
isooctanol	39.71
dipropyl ether	102.59
1,2-dichlorobenzene	175.89
ethyl lactate	87.1
propylene carbonate	175.29
n-methylformamide	138.98
2-pentanol	126.28
n-pentane	6.9
1-propoxy-2-propanol	158.6
1-methoxy-2-propyl acetate	228.16
2-(2-methoxypropoxy) propanol	175.06
mesitylene	50.49
ε-caprolactone	240.68
p-cymene	43.51
epichlorohydrin	539.2
1,1,1-trichloroethane	427.6
2-aminoethanol	177.07
morpholine-4-carbaldehyde	321.6
sulfolane	198.93
2,2,4-trimethylpentane	9.17
2-methyltetrahydrofuran	294.29
n-hexyl acetate	109.19
isooctane	6.29
2-(2-butoxyethoxy)ethanol	227.6
sec-butyl acetate	151.48
tert-butyl acetate	189.6
decalin	17.69
glycerin	182.97
diglyme	481.45
acrylic acid	167.21
isopropyl myristate	52.9
n-butyric acid	285.28
acetyl acetate	334.6
di(2-ethylhexyl) phthalate	55.31
ethyl propionate	201.23
nitromethane	472.1
1,2-diethoxyethane	371.04
benzonitrile	200.85
trioctyl phosphate	31.23
1-bromopropane	263.6
gamma-valerolactone	328.46
n-decanol	37.13
triethyl phosphate	83.64
4-methyl-2-pentanol	60.16
propionitrile	287.8
vinylene carbonate	203.52
1,1,2-trichlorotrifluoroethane	336.52
DMS	172.44
cumene	56.59
2-octanol	30.69
2-hexanone	137.34
octyl acetate	60.02
limonene	55.58
1,2-dimethoxyethane	588.38
ethyl orthosilicate	84.38
tributyl phosphate	48.68
diacetone alcohol	175.9
N,N-dimethylaniline	132.5
acrylonitrile	332.82
aniline	244.13
1,3-propanediol	271.54
bromobenzene	226.18
dibromomethane	658.97
1,1,2,2-tetrachloroethane	729.53
2-methyl-cyclohexyl acetate	109.1
tetrabutyl urea	58.86
diisobutyl methanol	46.72
2-phenylethanol	148.4
styrene	147.65
dioctyl adipate	90.09
dimethyl sulfate	128.32
ethyl butyrate	170.04
methyl lactate	111.11
butyl lactate	64.05
diethyl carbonate	145.07
propanediol butyl ether	106.06
triethyl orthoformate	124.71
p-tert-butyltoluene	42.44
methyl 4-tert-butylbenzoate	116.02
morpholine	904.43
tert-butylamine	162.74
n-dodecanol	30.93
dimethoxymethane	270.63
ethylene carbonate	179.56
cyrene	126.4
2-ethoxyethyl acetate	188.01
2-ethylhexyl acetate	128.91
1,2,4-trichlorobenzene	212.99
4-methylpyridine	351.48
dibutyl ether	91.66
2,6-dimethyl-4-heptanol	46.72
DEF	204.86
dimethyl isosorbide	252.01
tetrachloroethylene	431.48
eugenol	128.96
triacetin	162.88
span 80	109.26
1,4-butanediol	101.49
1,1-dichloroethane	517.08
2-methyl-1-pentanol	130.03
methyl formate	114.0
2-methyl-1-butanol	144.44
n-decane	8.79
butyronitrile	224.13
3,7-dimethyl-1-octanol	58.47
1-chlorooctane	37.5
1-chlorotetradecane	19.11
n-nonane	7.51
undecane	7.05
tert-butylcyclohexane	16.63
cyclooctane	7.04
cyclopentanol	104.74
tetrahydropyran	541.42
tert-amyl methyl ether	152.53
2,5,8-trioxanonane	365.89
1-hexene	54.92
2-isopropoxyethanol	234.15
2,2,2-trifluoroethanol	100.48
methyl butyrate	225.72

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