Công thức phân tử
C11H18O2

SMILES
CC1CCC2C(COC(=O)C2C1)C

Hương thơm
Gỗ	50.03%
Thảo mộc	48.98%
Cay	45.55%
Bạc hà	42.52%
Lacton	38.22%
Dừa	34.34%
Hoa	33.51%
Động vật	33.23%
Coumarin	32.72%
Cần tây	31.16%

 

Hương vị
Minty	36.91%
Fruity	29.75%
Herbal	29.6%
Bitter	25.13%
Mint	23.03%
Fruit	22.5%
Fresh	21.63%
Spicy	21.57%
Beet	21.31%
Ripe apricot	21.1%

 

Cường độ mùi ước lượng
Trung bình

XLogP3-AA
2.9

pKa ước lượng
7.93 (trung tính)

Khối lượng phân tử
182.26 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Chậm

Điểm sôi ước lượng
278°C

Điểm chớp cháy

• 109.14 ˚C ước lượng

Được đánh giá chủ yếu cho nước hoa ở vai trò hợp chất tạo hương và mùi gốc; 4,7-Dimethyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one cũng có thể được dùng làm tiền thân trong tổng hợp liên quan đến hương liệu và là yếu tố xây dựng chiral tiềm năng trong tổng hợp dược phẩm hoặc sản phẩm nông nghiệp; ngoài ra, nó được xem xét cho mỹ phẩm/dành cho chăm sóc cá nhân và các sản phẩm gia dụng như thành phần tạo hương.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	130.17
methanol	135.77
isopropanol	131.1
water	0.83
ethyl acetate	94.0
n-propanol	118.14
acetone	117.52
n-butanol	109.92
acetonitrile	124.25
DMF	169.12
toluene	156.3
isobutanol	93.22
1,4-dioxane	335.09
methyl acetate	122.71
THF	264.59
2-butanone	141.72
n-pentanol	80.51
sec-butanol	89.73
n-hexane	3.99
ethylene glycol	26.56
NMP	128.94
cyclohexane	18.29
DMSO	132.83
n-butyl acetate	143.11
n-octanol	70.45
chloroform	686.43
n-propyl acetate	81.28
acetic acid	105.22
dichloromethane	480.92
cyclohexanone	227.17
propylene glycol	34.92
isopropyl acetate	66.03
DMAc	132.19
2-ethoxyethanol	103.9
isopentanol	105.27
n-heptane	6.45
ethyl formate	107.48
1,2-dichloroethane	231.96
n-hexanol	128.75
2-methoxyethanol	159.83
isobutyl acetate	63.83
tetrachloromethane	75.9
n-pentyl acetate	94.21
transcutol	381.61
n-heptanol	72.17
ethylbenzene	70.48
MIBK	73.87
2-propoxyethanol	176.91
tert-butanol	124.26
MTBE	75.68
2-butoxyethanol	118.2
propionic acid	97.94
o-xylene	96.48
formic acid	41.81
diethyl ether	68.35
m-xylene	100.34
p-xylene	96.73
chlorobenzene	200.24
dimethyl carbonate	35.63
n-octane	4.57
formamide	61.19
cyclopentanone	203.15
2-pentanone	93.16
anisole	117.65
cyclopentyl methyl ether	87.15
gamma-butyrolactone	209.14
1-methoxy-2-propanol	119.2
pyridine	350.58
3-pentanone	69.87
furfural	289.97
n-dodecane	6.34
diethylene glycol	132.0
diisopropyl ether	25.84
tert-amyl alcohol	84.48
acetylacetone	106.79
n-hexadecane	7.64
acetophenone	122.58
methyl propionate	72.51
isopentyl acetate	128.84
trichloroethylene	487.95
n-nonanol	63.64
cyclohexanol	108.74
benzyl alcohol	115.71
2-ethylhexanol	77.01
isooctanol	60.28
dipropyl ether	45.76
1,2-dichlorobenzene	176.65
ethyl lactate	51.12
propylene carbonate	141.77
n-methylformamide	102.23
2-pentanol	62.45
n-pentane	5.99
1-propoxy-2-propanol	124.43
1-methoxy-2-propyl acetate	114.97
2-(2-methoxypropoxy) propanol	121.42
mesitylene	64.54
ε-caprolactone	183.72
p-cymene	59.98
epichlorohydrin	287.82
1,1,1-trichloroethane	220.34
2-aminoethanol	57.01
morpholine-4-carbaldehyde	206.98
sulfolane	188.58
2,2,4-trimethylpentane	5.97
2-methyltetrahydrofuran	165.18
n-hexyl acetate	122.03
isooctane	6.19
2-(2-butoxyethoxy)ethanol	164.22
sec-butyl acetate	62.03
tert-butyl acetate	74.26
decalin	11.83
glycerin	52.23
diglyme	265.24
acrylic acid	88.54
isopropyl myristate	54.6
n-butyric acid	136.16
acetyl acetate	76.09
di(2-ethylhexyl) phthalate	69.57
ethyl propionate	63.51
nitromethane	151.74
1,2-diethoxyethane	126.52
benzonitrile	225.58
trioctyl phosphate	46.8
1-bromopropane	117.35
gamma-valerolactone	296.39
n-decanol	49.15
triethyl phosphate	47.52
4-methyl-2-pentanol	52.4
propionitrile	127.49
vinylene carbonate	176.86
1,1,2-trichlorotrifluoroethane	165.87
DMS	94.1
cumene	54.57
2-octanol	50.73
2-hexanone	89.86
octyl acetate	67.59
limonene	65.44
1,2-dimethoxyethane	169.74
ethyl orthosilicate	45.76
tributyl phosphate	52.69
diacetone alcohol	96.32
N,N-dimethylaniline	77.73
acrylonitrile	179.85
aniline	153.68
1,3-propanediol	104.91
bromobenzene	218.8
dibromomethane	305.9
1,1,2,2-tetrachloroethane	359.95
2-methyl-cyclohexyl acetate	86.82
tetrabutyl urea	67.12
diisobutyl methanol	48.01
2-phenylethanol	143.45
styrene	83.46
dioctyl adipate	74.83
dimethyl sulfate	51.02
ethyl butyrate	81.89
methyl lactate	48.49
butyl lactate	80.87
diethyl carbonate	65.65
propanediol butyl ether	108.6
triethyl orthoformate	62.45
p-tert-butyltoluene	54.99
methyl 4-tert-butylbenzoate	117.72
morpholine	294.82
tert-butylamine	75.88
n-dodecanol	39.18
dimethoxymethane	91.6
ethylene carbonate	138.42
cyrene	104.87
2-ethoxyethyl acetate	129.41
2-ethylhexyl acetate	104.9
1,2,4-trichlorobenzene	195.96
4-methylpyridine	277.44
dibutyl ether	56.09
2,6-dimethyl-4-heptanol	48.01
DEF	86.58
dimethyl isosorbide	180.03
tetrachloroethylene	220.02
eugenol	119.19
triacetin	111.17
span 80	110.93
1,4-butanediol	46.45
1,1-dichloroethane	233.39
2-methyl-1-pentanol	80.88
methyl formate	80.75
2-methyl-1-butanol	84.41
n-decane	9.27
butyronitrile	141.19
3,7-dimethyl-1-octanol	74.32
1-chlorooctane	43.79
1-chlorotetradecane	21.82
n-nonane	7.49
undecane	7.52
tert-butylcyclohexane	10.23
cyclooctane	6.4
cyclopentanol	105.8
tetrahydropyran	211.04
tert-amyl methyl ether	50.77
2,5,8-trioxanonane	196.75
1-hexene	24.65
2-isopropoxyethanol	84.95
2,2,2-trifluoroethanol	43.93
methyl butyrate	86.04

Scent© AI