CAS No.13877-91-3,OCIMENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13877-91-3
Name:	OCIMENE
Article Data:	21

Formula:	C₁₀H₁₆
Molecular Weight:	136.237
Synonyms:	b-Ocimene (6CI);3,7-Dimethyl-1,3,6-octatriene;
EINECS:	223-241-5
Density:	0.776 g/cm³
Melting Point:	-27.17°C (estimate)
Boiling Point:	175.2 °C at 760 mmHg
Flash Point:	46.9 °C
Solubility:	14.5mg/L at 24℃
Appearance:	colourless clear liquid
Risk Codes:	10
Safety:	16
PSA:	0.00000
LogP:	3.47500

Synthetic route

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

A: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

B: 586-62-9
Terpinolene

C: 138-86-3
limonene.

Conditions

Conditions	Yield
With rhenium(VII) oxide In toluene at 100℃; for 24h;	A 32% B 22% C 43%
With sulfuric acid In toluene at 100℃; for 24h;	A 11% B 25% C 20%

...Expand

: 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal

A: 123-35-3
7-methyl-3-methene-1,6-octadiene

B: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

C: 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene

D: 586-67-4
3,8-p-Menthadien

E: 138-86-3
limonene.

Conditions

Conditions	Yield
With aluminum oxide; carbon dioxide In hexane at 190℃; Supercritical conditions;	A 15.8% B 6.2% C 11.9% D 30.8% E 5.2%

...Expand

: 110-86-1
pyridine

: 6138-90-5
geranyl bromide

A: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

B: 138-86-3
limonene.

Conditions

Conditions	Yield
at 140℃;

...Expand

: 7785-70-8
(+)-α-pinene

A: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

B: 138-86-3
limonene.

Conditions

Conditions	Yield
at 54℃; unter vermindertem Druck;
at 350℃;

: 6709-39-3
2,6-dimethyl-hepta-1,5-diene

: 54730-18-6
bromomethanesulfonyl bromide

A: 123-35-3
7-methyl-3-methene-1,6-octadiene

B: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; tert-butyl alcohol at -23 - 25℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

A: 2436-90-0
dihydromyrcene

B: 2492-22-0, 2609-23-6, 2792-39-4
dihydromyrcene

C: 123-35-3
7-methyl-3-methene-1,6-octadiene

D: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

Conditions

Conditions	Yield
With ammonium formate; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine In tetrahydrofuran at 65℃; for 2h; Product distribution; other catalysts, other ligands, other solvents, other time, other temp.;

...Expand

: 115-95-7
linalool acetate

A: 123-35-3
7-methyl-3-methene-1,6-octadiene

B: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

Conditions

Conditions	Yield
With N,O-bis-(trimethylsilyl)-acetamide; molybdenum hexacarbonyl for 1h; Heating; Yield given. Yields of byproduct given;

: 763-10-0
geranyl diphosphate

A: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

B: 123-35-3
7-methyl-3-methene-1,6-octadiene

C: 106-25-2
Nerol

D: 106-24-1
Geraniol

E: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

F: 98-55-5
terpineol

Conditions

Conditions	Yield
With N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid; manganese(II) In water at 40℃; Product distribution; Thermodynamic data; Kinetics; investigation of the effect of pH, stoichiometry, kind and concentration of catalyst and temperature;

...Expand

: 81678-25-3
3,7-dimethyl-1-(N-methyl-2-imidazolylthio)-2,6-octadiene

A: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

B: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

C: 98-55-5
terpineol

Conditions

Conditions	Yield
With hydrogenchloride at 20℃; for 5h; other alkylmercaptoazoles;

...Expand

: 81678-26-4
2-nerylmercapto-1-methylimidazole

A: 123-35-3
7-methyl-3-methene-1,6-octadiene

B: 60763-44-2
3,7-dimethyl-3-methoxy-1,6-octadiene

C: 13877-91-3
3,7-Dimethyl-octa-1,3,6-trien

D: 2565-83-5
(2Z)-1-methoxy-3,7-dimethylocta-2,6-diene

E: 14576-08-0
4-(2-methoxypropan-2-yl)-1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Product distribution; Irradiation; other alkylmercaptoazoles, var solvents and temperatures;

...Expand

Raw Materials

81678-25-3

105-87-3

106-23-0

3016-19-1

110-86-1

78-70-6

7785-70-8

16789-26-7

Downstream Products

78-70-6

2492-22-0

106-25-2

Total:60 Page 1 of 2 1 2 Next>>

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Specification

The 1,3,6-Octatriene,3,7-dimethyl- is an organic compound with the formula C₁₀H₁₆. The systematic name of this chemical is (3E)-3,7-dimethylocta-1,3,6-triene. With the CAS registry number 13877-91-3, it is also named as 3,7-Dimethylocta-1,3,6-triene.

You can still convert the following datas into molecular structure: (1)ACD/LogP: 4.70 ; (2)ACD/LogD (pH 5.5): 4.7; (3)ACD/LogD (pH 7.4): 4.7; (4)ACD/BCF (pH 5.5): 2193.22; (5)ACD/BCF (pH 7.4): 2193.22; (6)ACD/KOC (pH 5.5): 8573.21; (7)ACD/KOC (pH 7.4): 8573.21; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.458; (10)Molar Refractivity: 47.9 cm³; (11)Molar Volume: 175.5 cm³; (12)Polarizability: 18.99×10^-24cm³; (13)Surface Tension: 23.3 dyne/cm; (14)Density: 0.776 g/cm³; (15)Flash Point: 46.9 °C; (16)Enthalpy of Vaporization: 39.46 kJ/mol; (17)Boiling Point: 175.2 °C at 760 mmHg; (18)Vapour Pressure: 1.56 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking.

Physical properties about 1,3,6-Octatriene,3,7-dimethyl- are:
(1)SMILES: C=C\C(=C\C/C=C(\C)C)C
(2)InChI: InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
(3)InChIKey: IHPKGUQCSIINRJ-CSKARUKUBC
(4)Std. InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
(5)Std. InChIKey: IHPKGUQCSIINRJ-CSKARUKUSA-N