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2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl-

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Name

2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl-

EINECS 262-038-6
CAS No. 60047-17-8 Density 1.023g/cm3
PSA 32.76000 LogP 1.88100
Solubility N/A Melting Point N/A
Formula C10H18O2 Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 170.252 Flash Point 75.4 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes 22-34
Molecular Structure Molecular Structure of 60047-17-8 (Linalool oxide) Hazard Symbols C
Synonyms

2,6-Dimethyl-3,6-oxido-7-octen-2-ol;2-Methyl-5-(1-hydroxy-1-methylethyl)-2-vinyltetrahydrofuran;NSC 93936;

Article Data 35

2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl- Synthetic route

97277-67-3

1-(5-ethynyl-5-methyl-2-tetrahydrofuranyl)-1-methylethanol

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
With quinoline; hydrogen; Pd-BaSO4 In methanol Ambient temperature;92%
78-70-6

3,7-dimethylocta-1,6-dien-3-ol

A

15249-35-1

6,7-epoxylinalool

B

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
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
16262-93-4

5,6-epoxy-6-methyl-2-heptanone

1826-67-1

vinyl magnesium bromide

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
In tetrahydrofuran for 12h; Ambient temperature;75%
78-70-6

3,7-dimethylocta-1,6-dien-3-ol

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
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;

C17H26O5S

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
With potassium tert-butylate; tert-butyl alcohol at 70 - 80℃; for 6h;72.91%

2-[5-(1-Iodo-ethyl)-5-methyl-tetrahydro-furan-2-yl]-propan-2-ol

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions
ConditionsYield
With potassium tert-butylate In N,N-dimethyl-formamide at 25℃;70%
119906-63-7

(2E)-3-methyl-5-{(4R)-2,2,5,5-tetramethyl-[1,3]dioxolan-4-yl}-2-pentene-1-ol

358-23-6

trifluoromethylsulfonic anhydride

A

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

B

C14H23F3O5S

Conditions
ConditionsYield
at -78℃;A n/a
B 43%
358-23-6

trifluoromethylsulfonic anhydride

61262-97-3

(4'S,2E)-3-methyl-5-(2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl)-2-penten-1-ol

A

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

B

C14H23F3O5S

Conditions
ConditionsYield
at -78℃;A n/a
B 43%
79-21-0

peracetic acid

126-91-0

linalool

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

2311-91-3

monoperoxyphthalic acid

126-91-0

linalool

60047-17-8

2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

2-Furanmethanol,5-ethenyltetrahydro-a,a,5-trimethyl- Specification

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,

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