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CAS No.: | 60047-17-8 |
---|---|
Name: | Linalool oxide |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C10H18O2 |
Molecular Weight: | 170.252 |
Synonyms: | 2,6-Dimethyl-3,6-oxido-7-octen-2-ol;2-Methyl-5-(1-hydroxy-1-methylethyl)-2-vinyltetrahydrofuran;NSC 93936; |
EINECS: | 262-038-6 |
Density: | 1.023g/cm3 |
Boiling Point: | 222.6 °C at 760 mmHg |
Flash Point: | 75.4 °C |
Hazard Symbols: | C |
Risk Codes: | 22-34 |
Safety: | 23-24/25 |
PSA: | 32.76000 |
LogP: | 1.88100 |
1-(5-ethynyl-5-methyl-2-tetrahydrofuranyl)-1-methylethanol
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
With quinoline; hydrogen; Pd-BaSO4 In methanol Ambient temperature; | 92% |
3,7-dimethylocta-1,6-dien-3-ol
A
6,7-epoxylinalool
B
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
With pyridine; pyridine-3-carbonitrile; dihydrogen peroxide; methyltrioxorhenium(VII) In dichloromethane; water at -0.15℃; for 1.7h; Yields of byproduct given; | A 82% B n/a |
5,6-epoxy-6-methyl-2-heptanone
vinyl magnesium bromide
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
In tetrahydrofuran for 12h; Ambient temperature; | 75% |
3,7-dimethylocta-1,6-dien-3-ol
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
With maleic anhydride; urea-hydrogen peroxide complex In dichloromethane at 0℃; for 5h; | 75% |
With 3-chloro-benzenecarboperoxoic acid In chloroform at 0℃; for 8h; | 72% |
With Beauveria sulfurescens ATCC7159 In various solvent(s) for 16h; |
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
With potassium tert-butylate; tert-butyl alcohol at 70 - 80℃; for 6h; | 72.91% |
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide at 25℃; | 70% |
(2E)-3-methyl-5-{(4R)-2,2,5,5-tetramethyl-[1,3]dioxolan-4-yl}-2-pentene-1-ol
trifluoromethylsulfonic anhydride
A
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
at -78℃; | A n/a B 43% |
trifluoromethylsulfonic anhydride
(4'S,2E)-3-methyl-5-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl)-2-penten-1-ol
A
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
Conditions | Yield |
---|---|
at -78℃; | A n/a B 43% |
peracetic acid
linalool
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
monoperoxyphthalic acid
linalool
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran
The 2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl-, with CAS registry number 60047-17-8, belongs to the following product categories: (1)Biochemistry; (2)Terpenes; (3)Terpenes (Others). It has the systematic name of 2-(5-ethenyl-5-methyltetrahydrofuran-2-yl)propan-2-ol. Its classification code is Skin / Eye Irritant. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.
Physical properties of 2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.98; (6)ACD/BCF (pH 7.4): 8.98; (7)ACD/KOC (pH 5.5): 167.48; (8)ACD/KOC (pH 7.4): 167.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 50.54 cm3; (15)Molar Volume: 166.2 cm3; (16)Polarizability: 20.03×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.023 g/cm3; (19)Flash Point: 75.4 °C; (20)Enthalpy of Vaporization: 53.38 kJ/mol; (21)Boiling Point: 222.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0205 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C1OC(\C=C)(CC1)C)(C)C
(2)InChI: InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
(3)InChIKey: BRHDDEIRQPDPMG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
(5)Std. InChIKey: BRHDDEIRQPDPMG-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 2500mg/kg (2500mg/kg) | Food and Chemical Toxicology. Vol. 21, Pg. 863, 1983. | |
rat | LD50 | oral | 1150mg/kg (1150mg/kg) | Food and Chemical Toxicology. Vol. 21, Pg. 863, |