Công thức phân tử
C30H34O13

SMILES
CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

Hương thơm
Không mùi	55.56%
Cay	27.49%
Ngọt	26.77%
Gỗ	22.18%
Hạt	19.41%
Bạc hà	18.73%
Cháy	18.52%
Mát lạnh	17.2%
Rang cháy	15.72%
Đắng	14.8%

 

Hương vị
Bitter	95.09%
Cedarleaf	20.47%
Bland	20.31%
Sweet-like	19.96%
Lovage	18.09%
Parsley	17.85%
Ripe apricot	17.84%
Nitrile	17.62%
Red fruit	17.51%
Basil	17.33%

 

Cường độ mùi ước lượng
Thấp

pKa ước lượng
6.16 (trung tính)

Khối lượng phân tử
602.6 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối nhanh

Điểm sôi ước lượng
790°C

Điểm chớp cháy

• 154.01 ˚C ước lượng

1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione được xem như một tiền chất chiral có định danh stereochemical cao và là khối xây dựng đa vòng cho tổng hợp các hợp chất phức tạp. Trong các ngành công nghiệp, nó có thể giữ vai trò như intermediate chiral cho tổng hợp dược phẩm và hợp chất nông nghiệp; làm đơn vị monomer phản ứng hoặc thành phần liên kết mạng cho các polymer đặc thù, lớp phủ và keo dính; và là khung nền cho đa dạng hóa tổng hợp trong nghiên cứu dược phẩm và nông nghiệp.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	1.55
methanol	4.48
isopropanol	1.73
water	0.06
ethyl acetate	9.07
n-propanol	1.49
acetone	18.59
n-butanol	1.74
acetonitrile	12.32
DMF	33.37
toluene	3.89
isobutanol	1.38
1,4-dioxane	17.88
methyl acetate	10.91
THF	27.0
2-butanone	13.18
n-pentanol	1.43
sec-butanol	1.2
n-hexane	0.04
ethylene glycol	1.98
NMP	38.31
cyclohexane	0.19
DMSO	60.29
n-butyl acetate	7.98
n-octanol	2.02
chloroform	13.42
n-propyl acetate	6.89
acetic acid	6.77
dichloromethane	11.81
cyclohexanone	26.16
propylene glycol	1.03
isopropyl acetate	8.26
DMAc	36.84
2-ethoxyethanol	8.43
isopentanol	2.68
n-heptane	0.07
ethyl formate	8.57
1,2-dichloroethane	8.51
n-hexanol	3.05
2-methoxyethanol	16.4
isobutyl acetate	4.83
tetrachloromethane	2.05
n-pentyl acetate	6.13
transcutol	12.97
n-heptanol	2.81
ethylbenzene	1.91
MIBK	9.6
2-propoxyethanol	16.65
tert-butanol	3.42
MTBE	1.81
2-butoxyethanol	10.23
propionic acid	3.95
o-xylene	2.8
formic acid	8.18
diethyl ether	2.21
m-xylene	2.49
p-xylene	3.4
chlorobenzene	6.06
dimethyl carbonate	10.89
n-octane	0.05
formamide	17.2
cyclopentanone	33.6
2-pentanone	10.78
anisole	6.01
cyclopentyl methyl ether	5.6
gamma-butyrolactone	31.87
1-methoxy-2-propanol	11.81
pyridine	16.39
3-pentanone	8.43
furfural	32.53
n-dodecane	0.08
diethylene glycol	18.35
diisopropyl ether	0.95
tert-amyl alcohol	2.15
acetylacetone	26.19
n-hexadecane	0.1
acetophenone	11.21
methyl propionate	9.21
isopentyl acetate	8.37
trichloroethylene	21.04
n-nonanol	2.48
cyclohexanol	2.57
benzyl alcohol	6.0
2-ethylhexanol	2.34
isooctanol	2.58
dipropyl ether	1.65
1,2-dichlorobenzene	7.13
ethyl lactate	6.26
propylene carbonate	15.16
n-methylformamide	14.74
2-pentanol	1.08
n-pentane	0.04
1-propoxy-2-propanol	9.32
1-methoxy-2-propyl acetate	13.9
2-(2-methoxypropoxy) propanol	11.54
mesitylene	1.69
ε-caprolactone	16.26
p-cymene	2.09
epichlorohydrin	28.2
1,1,1-trichloroethane	7.29
2-aminoethanol	2.29
morpholine-4-carbaldehyde	35.42
sulfolane	47.34
2,2,4-trimethylpentane	0.05
2-methyltetrahydrofuran	8.6
n-hexyl acetate	7.23
isooctane	0.06
2-(2-butoxyethoxy)ethanol	11.59
sec-butyl acetate	4.69
tert-butyl acetate	9.3
decalin	0.2
glycerin	5.44
diglyme	23.7
acrylic acid	5.68
isopropyl myristate	3.58
n-butyric acid	6.15
acetyl acetate	12.33
di(2-ethylhexyl) phthalate	5.9
ethyl propionate	6.93
nitromethane	32.56
1,2-diethoxyethane	4.89
benzonitrile	11.63
trioctyl phosphate	4.23
1-bromopropane	2.18
gamma-valerolactone	43.08
n-decanol	1.77
triethyl phosphate	5.46
4-methyl-2-pentanol	1.63
propionitrile	7.38
vinylene carbonate	17.27
1,1,2-trichlorotrifluoroethane	24.51
DMS	10.61
cumene	1.52
2-octanol	1.53
2-hexanone	8.52
octyl acetate	4.71
limonene	2.16
1,2-dimethoxyethane	20.48
ethyl orthosilicate	4.35
tributyl phosphate	4.44
diacetone alcohol	14.38
N,N-dimethylaniline	4.29
acrylonitrile	13.95
aniline	5.1
1,3-propanediol	4.96
bromobenzene	5.83
dibromomethane	6.06
1,1,2,2-tetrachloroethane	14.47
2-methyl-cyclohexyl acetate	7.92
tetrabutyl urea	7.77
diisobutyl methanol	1.82
2-phenylethanol	10.19
styrene	2.03
dioctyl adipate	5.99
dimethyl sulfate	22.77
ethyl butyrate	6.32
methyl lactate	9.83
butyl lactate	6.42
diethyl carbonate	5.54
propanediol butyl ether	6.14
triethyl orthoformate	5.01
p-tert-butyltoluene	1.91
methyl 4-tert-butylbenzoate	11.56
morpholine	13.89
tert-butylamine	1.1
n-dodecanol	1.24
dimethoxymethane	21.01
ethylene carbonate	13.99
cyrene	18.41
2-ethoxyethyl acetate	9.58
2-ethylhexyl acetate	6.45
1,2,4-trichlorobenzene	9.41
4-methylpyridine	14.05
dibutyl ether	1.47
2,6-dimethyl-4-heptanol	1.82
DEF	12.08
dimethyl isosorbide	21.17
tetrachloroethylene	10.31
eugenol	12.51
triacetin	9.49
span 80	7.31
1,4-butanediol	2.14
1,1-dichloroethane	5.35
2-methyl-1-pentanol	2.03
methyl formate	15.23
2-methyl-1-butanol	1.64
n-decane	0.13
butyronitrile	5.84
3,7-dimethyl-1-octanol	2.39
1-chlorooctane	0.87
1-chlorotetradecane	0.45
n-nonane	0.08
undecane	0.1
tert-butylcyclohexane	0.14
cyclooctane	0.08
cyclopentanol	3.54
tetrahydropyran	6.71
tert-amyl methyl ether	1.74
2,5,8-trioxanonane	17.86
1-hexene	0.25
2-isopropoxyethanol	6.42
2,2,2-trifluoroethanol	7.93
methyl butyrate	8.92

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