CAS No.60047-17-8,Linalool oxide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	60047-17-8
Name:	Linalool oxide
Article Data:	35

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

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

Conditions	Yield
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

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

: 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

Conditions	Yield
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

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;

: C17H26O5S

: 60047-17-8
2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
at -78℃;	A n/a B 43%

...Expand

: 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

Conditions	Yield
at -78℃;	A n/a B 43%

...Expand

: 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

Total:27 Page 1 of 1 1

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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,