Công thức phân tử
C17H26O2

SMILES
C[C@@H]1CCC=C2[C@]1(C/C(=C(\C)/COC(=O)C)/CC2)C

Hương thơm
Gỗ	86.67%
Hoa	64.49%
Ngọt	55.26%
Phấn	49.35%
Trái cây	47.68%
Hoa violet	46.31%
Hổ phách	45.92%
Khô	44.48%
Rễ diên vĩ	43.03%
Quả mọng	39.45%

 

Hương vị
Woody	50.49%
Sweet	47.92%
Herbal	35.26%
Spicy	32.5%
Balsam	32.5%
Wood	32.21%
Fruity	31.13%
Dry	30.04%
Rose	29.29%
Pine	28.43%

 

Cường độ mùi ước lượng
Trung bình

XLogP3-AA
3.8

pKa ước lượng
8.63 (kiềm yếu)

Khối lượng phân tử
262.4 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực chậm

Điểm sôi ước lượng
337°C

Điểm chớp cháy

• 140.2 ˚C ước lượng

• (E)-Eremophila-1(10),7(11)-dien-12-yl acetate
• SCHEMBL25212932

Este terpenoid (E)-Eremophila-1(10),7(11)-dien-12-yl acetate có thể được xem như thành phần hương liệu và chất cố định hương trong nước hoa và mỹ phẩm; được dùng làm thành phần mùi trong chăm sóc cá nhân; có thể dùng làm chất tạo mùi cho các sản phẩm gia dụng và làm sạch; là tiền chất hoặc khung tổng hợp cho các hợp chất tự nhiên và dẫn xuất terpenoid trong nghiên cứu dược phẩm; và có thể đóng vai trò là tiền chất cho các ứng dụng công nghiệp tổng hợp, chẳng hạn như nhựa hoặc hệ thống phụ gia.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	406.5
methanol	268.2
isopropanol	410.04
water	0.08
ethyl acetate	734.34
n-propanol	468.37
acetone	499.42
n-butanol	356.31
acetonitrile	294.95
DMF	626.13
toluene	787.05
isobutanol	283.85
1,4-dioxane	1686.55
methyl acetate	536.57
THF	1554.71
2-butanone	699.36
n-pentanol	157.62
sec-butanol	307.06
n-hexane	10.71
ethylene glycol	20.94
NMP	257.96
cyclohexane	59.91
DMSO	268.15
n-butyl acetate	355.31
n-octanol	61.41
chloroform	1846.99
n-propyl acetate	286.1
acetic acid	94.57
dichloromethane	1361.17
cyclohexanone	695.99
propylene glycol	64.5
isopropyl acetate	427.74
DMAc	562.41
2-ethoxyethanol	331.18
isopentanol	256.51
n-heptane	7.79
ethyl formate	192.41
1,2-dichloroethane	768.95
n-hexanol	210.11
2-methoxyethanol	549.59
isobutyl acetate	198.67
tetrachloromethane	145.23
n-pentyl acetate	184.39
transcutol	1717.68
n-heptanol	77.2
ethylbenzene	216.64
MIBK	277.84
2-propoxyethanol	512.39
tert-butanol	414.84
MTBE	558.59
2-butoxyethanol	218.55
propionic acid	152.04
o-xylene	301.28
formic acid	28.28
diethyl ether	742.42
m-xylene	364.66
p-xylene	261.4
chlorobenzene	509.77
dimethyl carbonate	171.22
n-octane	4.15
formamide	88.73
cyclopentanone	684.4
2-pentanone	496.11
anisole	493.57
cyclopentyl methyl ether	507.23
gamma-butyrolactone	538.3
1-methoxy-2-propanol	471.14
pyridine	944.44
3-pentanone	399.41
furfural	504.38
n-dodecane	3.87
diethylene glycol	249.52
diisopropyl ether	133.56
tert-amyl alcohol	267.31
acetylacetone	473.47
n-hexadecane	4.89
acetophenone	323.57
methyl propionate	449.89
isopentyl acetate	343.37
trichloroethylene	1406.95
n-nonanol	63.98
cyclohexanol	272.87
benzyl alcohol	273.72
2-ethylhexanol	112.82
isooctanol	70.29
dipropyl ether	167.77
1,2-dichlorobenzene	400.39
ethyl lactate	108.2
propylene carbonate	272.88
n-methylformamide	235.4
2-pentanol	205.19
n-pentane	17.32
1-propoxy-2-propanol	344.19
1-methoxy-2-propyl acetate	492.96
2-(2-methoxypropoxy) propanol	255.51
mesitylene	176.42
ε-caprolactone	535.76
p-cymene	88.95
epichlorohydrin	1037.17
1,1,1-trichloroethane	673.4
2-aminoethanol	103.58
morpholine-4-carbaldehyde	676.64
sulfolane	353.97
2,2,4-trimethylpentane	11.73
2-methyltetrahydrofuran	867.12
n-hexyl acetate	231.82
isooctane	11.11
2-(2-butoxyethoxy)ethanol	377.74
sec-butyl acetate	245.02
tert-butyl acetate	398.41
decalin	25.37
glycerin	72.46
diglyme	759.36
acrylic acid	95.92
isopropyl myristate	93.55
n-butyric acid	275.48
acetyl acetate	292.44
di(2-ethylhexyl) phthalate	97.34
ethyl propionate	278.66
nitromethane	298.32
1,2-diethoxyethane	578.95
benzonitrile	359.99
trioctyl phosphate	55.81
1-bromopropane	459.23
gamma-valerolactone	932.57
n-decanol	47.3
triethyl phosphate	105.49
4-methyl-2-pentanol	120.72
propionitrile	403.51
vinylene carbonate	292.71
1,1,2-trichlorotrifluoroethane	356.63
DMS	276.28
cumene	122.58
2-octanol	53.37
2-hexanone	243.14
octyl acetate	113.72
limonene	106.42
1,2-dimethoxyethane	669.91
ethyl orthosilicate	107.8
tributyl phosphate	75.88
diacetone alcohol	319.82
N,N-dimethylaniline	250.03
acrylonitrile	386.68
aniline	562.72
1,3-propanediol	210.49
bromobenzene	588.36
dibromomethane	779.19
1,1,2,2-tetrachloroethane	1124.4
2-methyl-cyclohexyl acetate	197.07
tetrabutyl urea	95.92
diisobutyl methanol	70.94
2-phenylethanol	283.51
styrene	285.78
dioctyl adipate	140.66
dimethyl sulfate	187.57
ethyl butyrate	228.06
methyl lactate	134.46
butyl lactate	142.57
diethyl carbonate	154.54
propanediol butyl ether	179.37
triethyl orthoformate	166.88
p-tert-butyltoluene	91.69
methyl 4-tert-butylbenzoate	225.88
morpholine	1813.42
tert-butylamine	247.26
n-dodecanol	35.1
dimethoxymethane	691.49
ethylene carbonate	267.04
cyrene	192.02
2-ethoxyethyl acetate	388.24
2-ethylhexyl acetate	263.69
1,2,4-trichlorobenzene	455.69
4-methylpyridine	943.55
dibutyl ether	121.77
2,6-dimethyl-4-heptanol	70.94
DEF	403.11
dimethyl isosorbide	430.39
tetrachloroethylene	539.15
eugenol	229.11
triacetin	272.69
span 80	185.01
1,4-butanediol	60.22
1,1-dichloroethane	828.15
2-methyl-1-pentanol	148.98
methyl formate	140.19
2-methyl-1-butanol	231.2
n-decane	7.18
butyronitrile	363.06
3,7-dimethyl-1-octanol	89.26
1-chlorooctane	48.46
1-chlorotetradecane	19.17
n-nonane	5.97
undecane	5.08
tert-butylcyclohexane	20.99
cyclooctane	15.39
cyclopentanol	237.12
tetrahydropyran	1468.43
tert-amyl methyl ether	283.37
2,5,8-trioxanonane	459.89
1-hexene	81.62
2-isopropoxyethanol	252.15
2,2,2-trifluoroethanol	41.89
methyl butyrate	301.02

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