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2216-34-4

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2216-34-4 Usage

General Description

4-Methyloctane is a chemical compound that belongs to the family of alkanes, which are saturated hydrocarbons. It is a colorless liquid with a molecular formula of C9H20 and a chemical structure consisting of a linear chain of eight carbon atoms with a methyl group attached to the fourth carbon. 4-Methyloctane is commonly used as a solvent in chemical synthesis and industrial processes. It has a boiling point of 138.9°C and a density of 0.737 g/cm3. In terms of its safety, 4-Methyloctane is considered to have low toxicity and is not classified as a hazardous substance, but it should still be handled with care and in accordance with proper safety precautions.

Check Digit Verification of cas no

The CAS Registry Mumber 2216-34-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,1 and 6 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2216-34:
(6*2)+(5*2)+(4*1)+(3*6)+(2*3)+(1*4)=54
54 % 10 = 4
So 2216-34-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3

2216-34-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-METHYLOCTANE

1.2 Other means of identification

Product number -
Other names Octane, 4-methyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2216-34-4 SDS

2216-34-4Synthetic route

2-iodopentane
637-97-8

2-iodopentane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With Li2[di-n-butylcyanocuprate] In tetrahydrofuran at -50℃; for 2h;99%
2-bromopentane
107-81-3

2-bromopentane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With Li2[di-n-butylcyanocuprate] In tetrahydrofuran 1) 0 deg C, 2h, 2) RT, 1h;94%
n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2-bromopentane
107-81-3

2-bromopentane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With copper(I) thiocyanate In tetrahydrofuran at 0℃; for 3h; Mechanism; Product distribution; other reagents: CuI;63%
With copper(I) thiocyanate In tetrahydrofuran at 0℃; for 3h; other reagents: CuI;63%
With 1.) CuCN 1) THF, -78 deg C, 2) THF, 0 deg C, 2 h, RT, 1 h; Yield given. Multistep reaction;
2-methyl-1-chlorobutane
625-29-6

2-methyl-1-chlorobutane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With Li2[di-n-butylcyanocuprate] In tetrahydrofuran for 11h; Ambient temperature;28%
4-methyl-4-octanol
23418-37-3

4-methyl-4-octanol

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With naphthalene-2-sulfonate Hydrieren des erhaltenen Olefins an Platinoxyd in Eisessig;
aus dem durch Wasserabspaltung entstehenden Kohlenwasserstoff C9H18 durch Reduktion mit Wasserstoff und Nickel bei 160-180grad;
With aluminum oxide at 300 - 320℃; Beim Hydrieren des erhaltenen Olefin-Gemisches an Nickel/Kieselgur bei 140-180grad/175 at;
n-butylcyclopentane
2040-95-1

n-butylcyclopentane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With nickel-aluminium oxide; hydrogen at 250 - 305℃;
With platinum on activated charcoal; hydrogen at 305 - 315℃;
6-bromo-4-methyl-oct-2-ene
90675-89-1

6-bromo-4-methyl-oct-2-ene

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
(i) KOH, (ii) H2, Pd-CaCO3; Multistep reaction;
2-butyl-penta-1,4-diene
30479-99-3

2-butyl-penta-1,4-diene

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In acetic acid
5-methyl-nonanal
52432-75-4

5-methyl-nonanal

A

5-methylnonane
15869-85-9

5-methylnonane

B

4-methyloctane
2216-34-4

4-methyloctane

n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2-methyl-1-chlorobutane
625-29-6

2-methyl-1-chlorobutane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With 1.) CuCN 1) THF, -78 deg C, 2) THF, RT, 11 h; Yield given. Multistep reaction;
n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2-iodopentane
637-97-8

2-iodopentane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With 1.) CuCN 1) THF, -78 deg C, 2) THF, -50 deg C, 2 h; Yield given. Multistep reaction;
n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2-pentyl tosylate
3813-69-2

2-pentyl tosylate

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With 1.) CuCN 1) THF, -78 deg C, 2) THF, RT, 7 h; Yield given. Multistep reaction;
1-<2-thienyl>-butan-1-one

1-<2-thienyl>-butan-1-one

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With methyl magnesium iodide; diethyl ether Beim Erwaermen des Reaktionsprodukts mit Oxalsaeure und Erhitzen des danach isolierten Reaktionsprodukts mit Raney-Nickel in Dioxan;
n-butylcyclopentane
2040-95-1

n-butylcyclopentane

nickel-aluminium oxide

nickel-aluminium oxide

hydrogen

hydrogen

A

4-methyloctane
2216-34-4

4-methyloctane

B

2-Ethyltoluene
611-14-3

2-Ethyltoluene

Conditions
ConditionsYield
at 250 - 305℃;
n-butylcyclopentane
2040-95-1

n-butylcyclopentane

hydrogen

hydrogen

platinum-coal

platinum-coal

A

4-methyloctane
2216-34-4

4-methyloctane

B

2-Ethyltoluene
611-14-3

2-Ethyltoluene

Conditions
ConditionsYield
at 305 - 315℃;
1-methyl-4-nitrosobenzene
623-11-0

1-methyl-4-nitrosobenzene

1-n-butylcyclopentene
2423-01-0

1-n-butylcyclopentene

hydrogen

hydrogen

nickel-aluminium-alloy

nickel-aluminium-alloy

A

2-Methylhexane
591-76-4

2-Methylhexane

B

3-methylheptane
589-81-1

3-methylheptane

C

4-methyloctane
2216-34-4

4-methyloctane

D

n-butylcyclopentane
2040-95-1

n-butylcyclopentane

Conditions
ConditionsYield
at 200℃;
2-Pentanone
107-87-9

2-Pentanone

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: aluminium oxide / 300 - 320 °C / Beim Hydrieren des erhaltenen Olefin-Gemisches an Nickel/Kieselgur bei 140-180grad/175 at
View Scheme
n-hexan-2-one
591-78-6

n-hexan-2-one

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: aus dem durch Wasserabspaltung entstehenden Kohlenwasserstoff C9H18 durch Reduktion mit Wasserstoff und Nickel bei 160-180grad
View Scheme
Multi-step reaction with 2 steps
2: aus dem durch Wasserabspaltung entstehenden Kohlenwasserstoff C9H18 durch Reduktion mit Wasserstoff und Nickel bei 160-180grad
View Scheme
2-bromopent-3-ene
1809-26-3

2-bromopent-3-ene

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SnCl4
2: (i) KOH, (ii) H2, Pd-CaCO3
View Scheme
2-n-butyl-dimethoxy(1,4-pentadienyl)borane
21223-14-3

2-n-butyl-dimethoxy(1,4-pentadienyl)borane

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: AcOH, MeOH
2: H2 / PtO2 / acetic acid
View Scheme
hex-1-yne
693-02-7

hex-1-yne

tertiary amine

tertiary amine

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: (i) , (ii) /BRN= 1098229/, isopentane
2: AcOH, MeOH
3: H2 / PtO2 / acetic acid
View Scheme
propene
187737-37-7

propene

A

3,5-dimethylheptane
926-82-9

3,5-dimethylheptane

B

3,4-dimethylheptane
922-28-1

3,4-dimethylheptane

C

nonane
111-84-2

nonane

D

2-methyloctane
3221-61-2

2-methyloctane

E

3,3,4-trimethylhexane
16747-31-2

3,3,4-trimethylhexane

F

2,3,5-trimethylhexane
1069-53-0

2,3,5-trimethylhexane

G

3-ethyl-2-methyl-hexane
16789-46-1

3-ethyl-2-methyl-hexane

H

2,2,4-trimethylhexane
16747-26-5

2,2,4-trimethylhexane

I

2,5-dimethylheptane
2216-30-0, 132854-35-4

2,5-dimethylheptane

J

4-ethyl-2-methylhexane
3074-75-7

4-ethyl-2-methylhexane

K

2,4-dimethylheptane
2213-23-2

2,4-dimethylheptane

L

4-methyloctane
2216-34-4

4-methyloctane

M

3-ethylheptane
15869-80-4

3-ethylheptane

N

2,6-dimethylheptane
1072-05-5

2,6-dimethylheptane

O

3-methyloctane
2216-33-3, 116783-15-4

3-methyloctane

P

2,3-dimethylheptane
3074-71-3

2,3-dimethylheptane

Q

2,4-dimethyl-3-ethylpentane
1068-87-7

2,4-dimethyl-3-ethylpentane

R

2,2,5-trimethylhexane
3522-94-9

2,2,5-trimethylhexane

S

2,2-dimethylheptane
1071-26-7

2,2-dimethylheptane

Conditions
ConditionsYield
Stage #1: propene With water at 25 - 40℃;
Stage #2: at 125 - 172℃; under 52505.3 Torr;
Stage #3: With hydrogen; 0.5% Pt/Al2O3
non-1-ene
124-11-8

non-1-ene

A

2-methyloctane
3221-61-2

2-methyloctane

B

4-methyloctane
2216-34-4

4-methyloctane

C

3-methyloctane
2216-33-3, 116783-15-4

3-methyloctane

Conditions
ConditionsYield
WO3/ZrO2 catalyst at 199.84℃; for 0.266667h; Product distribution;A 36.2 % Chromat.
B 8.3 % Chromat.
C 25.8 % Chromat.
cis-bicyclo[4.4.0]decane

cis-bicyclo[4.4.0]decane

trans-bicyclo[4.4.0]decane

trans-bicyclo[4.4.0]decane

B

3,4-diethylhexane
19398-77-7

3,4-diethylhexane

C

octane, 4-ethyl-
15869-86-0

octane, 4-ethyl-

D

4,5-dimethyloctane
15869-96-2

4,5-dimethyloctane

E

decane
124-18-5

decane

F

5-methylnonane
15869-85-9

5-methylnonane

G

4-methyloctane
2216-34-4

4-methyloctane

H

3-ethylheptane
15869-80-4

3-ethylheptane

I

4-ethyl-3-methylheptane
52896-89-6

4-ethyl-3-methylheptane

J

4-(1-methylethyl)-heptane
52896-87-4

4-(1-methylethyl)-heptane

Conditions
ConditionsYield
With 2.59 wt.% iridium on non-acidic silica; hydrogen at 290℃; under 39003.9 Torr; Autoclave;
1-(furan-2-yl)-2-methylpent-1-en-3-one
131375-70-7

1-(furan-2-yl)-2-methylpent-1-en-3-one

A

4-methylnonane
17301-94-9, 108266-42-8

4-methylnonane

B

4-methyloctane
2216-34-4

4-methyloctane

Conditions
ConditionsYield
With hydrogen In neat (no solvent) at 349.84℃; under 45004.5 Torr; Catalytic behavior; Reagent/catalyst; Autoclave; chemoselective reaction;
nonane
111-84-2

nonane

A

3,5-dimethylheptane
926-82-9

3,5-dimethylheptane

B

2-methyloctane
3221-61-2

2-methyloctane

C

4-methyloctane
2216-34-4

4-methyloctane

D

3-methyloctane
2216-33-3, 116783-15-4

3-methyloctane

Conditions
ConditionsYield
With conventional isomerization catalyst In neat (no solvent, gas phase) at 330℃; under 30003 Torr; Flow reactor;A 7 %Chromat.
B 16 %Chromat.
C 26 %Chromat.
D 25 %Chromat.
propane
74-98-6

propane

A

2,3,3-trimethyloctane

2,3,3-trimethyloctane

B

2-Methylhexane
591-76-4

2-Methylhexane

C

2,3,3-Trimethyl-pentane
560-21-4

2,3,3-Trimethyl-pentane

D

3,3-dimethylhexane
563-16-6

3,3-dimethylhexane

E

2,3,5-trimethylhexane
1069-53-0

2,3,5-trimethylhexane

F

4,4-dimethyloctane
15869-95-1

4,4-dimethyloctane

G

2,3,5-trimethylheptane
20278-85-7

2,3,5-trimethylheptane

H

2,2,4-trimethylheptane
14720-74-2

2,2,4-trimethylheptane

I

2,3-dimethyl pentane
565-59-3

2,3-dimethyl pentane

J

2,3-dimethylhexane
584-94-1, 116724-01-7

2,3-dimethylhexane

K

2,4-dimethylhexane
589-43-5

2,4-dimethylhexane

L

2-Methylpentane
107-83-5

2-Methylpentane

M

triptane
464-06-2

triptane

N

4-methyloctane
2216-34-4

4-methyloctane

O

3-methyloctane
2216-33-3, 116783-15-4

3-methyloctane

P

2,3,3-trimethylhexane
16747-28-7

2,3,3-trimethylhexane

Q

2,3-dimethylheptane
3074-71-3

2,3-dimethylheptane

R

2,4,6-trimethyloctane
62016-37-9

2,4,6-trimethyloctane

S

tetramethyl-2,3,6,7 octane
52670-34-5

tetramethyl-2,3,6,7 octane

T

3,6-dimethyldecane
17312-53-7

3,6-dimethyldecane

Conditions
ConditionsYield
at 20℃; under 760.051 Torr; Electric arc;
propane
74-98-6

propane

A

nonane
111-84-2

nonane

B

2,3,5-trimethylhexane
1069-53-0

2,3,5-trimethylhexane

C

3-methylheptane
589-81-1

3-methylheptane

D

2,2-dimethyl-3-pentanol
3970-62-5

2,2-dimethyl-3-pentanol

E

2,4-dimethylheptane
2213-23-2

2,4-dimethylheptane

F

4-methyloctane
2216-34-4

4-methyloctane

G

2,4-dimethyl-3-ethylpentane
1068-87-7

2,4-dimethyl-3-ethylpentane

H

S-(-)-dihydrocitronellol
68680-98-8

S-(-)-dihydrocitronellol

Conditions
ConditionsYield
at 20℃; under 760.051 Torr; Electric arc;
propane
74-98-6

propane

A

2,3,5-trimethylhexane
1069-53-0

2,3,5-trimethylhexane

B

2,4-dimethylheptane
2213-23-2

2,4-dimethylheptane

C

4-methyloctane
2216-34-4

4-methyloctane

D

2,4-dimethyl-3-ethylpentane
1068-87-7

2,4-dimethyl-3-ethylpentane

E

2-methyl-3-prop-2-enoxyprop-1-ene
14289-96-4

2-methyl-3-prop-2-enoxyprop-1-ene

F

4-methylpentyl trichloroacetic acid ester

4-methylpentyl trichloroacetic acid ester

G

2,5,6-trimethyloctane

2,5,6-trimethyloctane

Conditions
ConditionsYield
at 20℃; under 760.051 Torr; Electric arc;
4-methyloctane
2216-34-4

4-methyloctane

platinum

platinum

coal

coal

A

1-Methyl-3-ethylbenzene
620-14-4

1-Methyl-3-ethylbenzene

B

Propylbenzene
103-65-1

Propylbenzene

Conditions
ConditionsYield
at 305 - 310℃;

2216-34-4Relevant articles and documents

UPGRADING 5-NONANONE

-

Paragraph 0104-0108, (2018/04/20)

Provided are fuel components, a method for producing fuel components, use of the fuel components and fuel containing the fuel components based on 5-nonanone.

Solvent-free synthesis of C9 and C10 branched alkanes with furfural and 3-pentanone from lignocellulose

Chen, Fang,Li, Ning,Li, Shanshan,Yang, Jinfan,Liu, Fei,Wang, Wentao,Wang, Aiqin,Cong, Yu,Wang, Xiaodong,Zhang, Tao

, p. 229 - 232 (2015/01/09)

Jet fuel range branched alkanes were first synthesized under solvent-free conditions by the aldol condensation of furfural and 3-pentanone from lignocellulose followed by the one-step hydrodeoxygenation (HDO). Among the investigated solid base catalysts,

Activation and isomerization of hydrocarbons over WO3/ZrO2 catalysts. II. Influence of tungsten loading on catalytic activity: Mechanistic studies and correlation with surface reducibility and tungsten surface species

Di Gregorio, Francois,Keller, Nicolas,Keller, Valerie

, p. 159 - 171 (2008/09/21)

We studied the correlation among the catalytic behavior of WO3/ZrO2 samples toward unsaturated and saturated hydrocarbons transformation, tungsten surface species oxidation states, and the crystallographic structure of the zirconia support. Different tungsten-loaded catalysts were studied, from 9 wt% (near-monolayer coverage) to 30 wt%. The resulting WO3/ZrO2 materials were obtained by impregnation of a tungsten salt on either a commercially available monoclinic zirconia or an amorphous hydroxide, ZrOx(OH)4-2x, followed by a calcination step (according to the Hino and Arata procedure), leading to a tetragonal structure. In contrast to previous works, here we demonstrate that the crystallographic structure of zirconia has no influence on catalytic properties. Correlations with XPS analyses revealed two aspects of catalytic behavior that depend strongly on the catalyst reducibility and thus on the W surface species oxidation states. First, on hardly reducible (tungsten loadings a purely acidic monomolecular mechanism for both isomerization (largely predominant) and cracking reactions, associated with W6+ and W5+ surface species, was demonstrated. Second, on easily reducible (tungsten loadings >15 wt%) or deeply reduced (over 723 K) surfaces, a bifunctional mechanism associating dehydrogenating/hydrogenating properties occurring on metallic tungsten and acidic isomerization and cracking on W5+ and W6+ surface species was observed. However, in this last case, we could not exclude the participation of a purely metallic isomerization mechanism occurring through σ-alkyl adsorbed species on the β-W metallic phase. A more pronounced reduction then led to an increase in the extensive hydrogenolysis mechanism, causing catalyst deactivation.

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