Product Name

  • Name

    2,2-Dimethyloctanoic acid

  • EINECS
  • CAS No. 29662-90-6
  • Article Data19
  • CAS DataBase
  • Density 0.915 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H20O2
  • Boiling Point 265.569 °C at 760 mmHg
  • Molecular Weight 172.268
  • Flash Point 121.281 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29662-90-6 (2,2-Dimethyloctanoic acid)
  • Hazard Symbols
  • Synonyms a,a-Dimethyloctanoic acid;
  • PSA 37.30000
  • LogP 3.06760

Synthetic route

1-Iodohexane
638-45-9

1-Iodohexane

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Stage #1: isobutyric Acid With hydrogenchloride; lithium diisopropyl amide In ethanol at 0℃; for 0.25h; Inert atmosphere;
Stage #2: 1-Iodohexane at 0 - 20℃; for 2h;		63.4%
Stage #1: isobutyric Acid With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 1h;
Stage #2: 1-Iodohexane In tetrahydrofuran at -78 - 20℃;
Stage #1: isobutyric Acid With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃;
Stage #2: 1-Iodohexane In tetrahydrofuran at -78 - 20℃;
2,2-dimethyloctanamide
103906-30-5

2,2-dimethyloctanamide

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With 1,4-dioxane; hydrogenchloride; n-Butyl nitrite
With sulfuric acid; sodium nitrite
With nitro, sulfate; sulfuric acid; water at 45 - 60℃;
non-1-ene
124-11-8

non-1-ene

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethyl heptanoic acid
31080-38-3

2-methyl-2-ethyl heptanoic acid

B

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C

2-methyl-2-propylhexanoic acid
31080-37-2

2-methyl-2-propylhexanoic acid

Conditions
ConditionsYield
(i) BF3*H2SO4, (ii) H2O; Multistep reaction;
...Expand
1-hexene
592-41-6

1-hexene

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With di-tert-butyl peroxide
formic acid
64-18-6

formic acid

2-methyl-2-octanol
628-44-4

2-methyl-2-octanol

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With sulfuric acid 1.) carbon tetrachloride, 5 deg C, 3 min, 2.) 5 deg C, 4.5 h; Yield given. Multistep reaction;
non-1-ene
124-11-8

non-1-ene

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethyl heptanoic acid
31080-38-3

2-methyl-2-ethyl heptanoic acid

B

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C

nonane-3-carboxylic acid
25234-25-7

nonane-3-carboxylic acid

D

2-methyl-2-propylhexanoic acid
31080-37-2

2-methyl-2-propylhexanoic acid

Conditions
ConditionsYield
With copper(I) oxide; (BF3*H2O)(BF3*H3PO4) at 30℃; under 760 Torr; for 4h; Product distribution; other catalyst;A 50 % Turnov.
B 26 % Turnov.
C 15 % Turnov.
D 9 % Turnov.
...Expand
ethene
74-85-1

ethene

isobutyric Acid
79-31-2

isobutyric Acid

A

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

B

other carboxylic acids

other carboxylic acids

Conditions
ConditionsYield
With oxygen; 1,2-di(benzylidene)hydrazine at 275℃; under 514855 Torr;
...Expand
2,2-dimethyl-1-phenyl-octan-1-one
873416-40-1

2,2-dimethyl-1-phenyl-octan-1-one

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaNH2; benzene
2: concentrated H2SO4; NaNO2
View Scheme
Multi-step reaction with 2 steps
1: NaNH2; toluene
2: concentrated H2SO4; (NO2)2SO4; water / 45 - 60 °C
View Scheme
2,2-dimethyl-3-octenoic acid

2,2-dimethyl-3-octenoic acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With N2; palladium In ethanol
1-bromo-hexane
111-25-1

1-bromo-hexane

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With n-butyllithium; nitrogen; diisopropylamine In tetrahydrofuran; diethyl ether; hexane; water; mineral oil
ethyl 2,2-dimethyloctanoate
59415-01-9

ethyl 2,2-dimethyloctanoate

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol; water for 2h; Reflux;
1-Iodohexane
638-45-9

1-Iodohexane

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C
1.2: -78 - 20 °C
2.1: sodium hydroxide / water; methanol / 2 h / Reflux
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

neodymium(III) chloride hydrate

neodymium(III) chloride hydrate

neodymium neodecanoate

neodymium neodecanoate

Conditions
ConditionsYield
Stage #1: dimethyloctanoic acid With sodium hydroxide In ethanol; water at 20℃; for 1h;
Stage #2: neodymium(III) chloride hydrate In ethanol; hexane; water at 20℃; for 15h;		96%
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-Benzyloxyphenol
103-16-2

4-Benzyloxyphenol

4-(benzyloxy)phenyl 2,2-dimethyloctanoate

4-(benzyloxy)phenyl 2,2-dimethyloctanoate

Conditions
ConditionsYield
Stage #1: dimethyloctanoic acid With oxalyl dichloride; triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere;
Stage #2: 4-Benzyloxyphenol With triethylamine; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 15h;		49%
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyloctanoic acid chloride
17701-32-5

2,2-dimethyloctanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride
With thionyl chloride for 1h; Reflux;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃;
With thionyl chloride In benzene for 4h; Reflux;
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

sodium-salt of/the/ 2,2-dimethyl-octanoic acid

sodium-salt of/the/ 2,2-dimethyl-octanoic acid

A

oct-1-ene
111-66-0

oct-1-ene

B

2-methyl-1-octene
4588-18-5

2-methyl-1-octene

C

2-methyl-oct-2-ene(?)

2-methyl-oct-2-ene(?)

Conditions
ConditionsYield
at 400℃;
...Expand
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyloctanamide
103906-30-5

2,2-dimethyloctanamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
2: water; ammonia
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyl-octanoic acid anilide
97725-04-7

2,2-dimethyl-octanoic acid anilide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

A

5-benzoyl-4-butyl-2,2-dimethylcyclopentanone

5-benzoyl-4-butyl-2,2-dimethylcyclopentanone

B

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
5: triethylamine; 4-toluenesulfonyl azide / acetonitrile / 4 h / 0 - 20 °C
6: t-BuBrettPhosAuNTf2; 8-isopropyl-quinoline-N-oxide / 1,2-dichloro-ethane / 96 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-butyl-2,2-dimethyl-5-pentanoylcyclopentanone

4-butyl-2,2-dimethyl-5-pentanoylcyclopentanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C33H48NP*Au(1+)*Cl(1-); silver(I) triflimide; 8-isopropyl-quinoline-N-oxide / fluorobenzene / 2 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: t-BuBrettPhosAuNTf2; 8-isopropyl-quinoline-N-oxide / 1,2-dichloro-ethane / 2 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; C33H48NP*Au(1+)*Cl(1-) / fluorobenzene / 12 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; silver(I) triflimide; (1,3-dimesitylimidazol-2-ylidene)gold(I) chloride / fluorobenzene / 2 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; C33H48NP*Au(1+)*Cl(1-); silver(I) triflimide / fluorobenzene / 2 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4,4-dimethyl-1-phenyldec-1-yn-3-one

4,4-dimethyl-1-phenyldec-1-yn-3-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

8,8-dimethyltetradec-5-yn-7-one

8,8-dimethyltetradec-5-yn-7-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

N-methoxy-N,2,2-trimethyloctanamide

N-methoxy-N,2,2-trimethyloctanamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C
2: dmap; pyridine / dichloromethane / 0 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2-diazo-4,4-dimethyl-1-phenyldecane-1,3-dione

2-diazo-4,4-dimethyl-1-phenyldecane-1,3-dione

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
5: triethylamine; 4-toluenesulfonyl azide / acetonitrile / 4 h / 0 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C18H26O2

C18H26O2

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethyl-heptyl isocyanate
858491-52-8

1,1-dimethyl-heptyl isocyanate

Conditions
ConditionsYield
With diphenylphosphoranyl azide; triethylamine In toluene at 0 - 100℃; for 14h; Inert atmosphere;
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethylheptylamine hydrochloride

1,1-dimethylheptylamine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethylheptylamine
2626-63-3

1,1-dimethylheptylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C17H38AlN

C17H38AlN

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
3: tetrahydrofuran; toluene / 2 h / 0 - 20 °C / Inert atmosphere
View Scheme

2,2-Dimethyloctanoic acid Specification

The Octanoic acid,2,2-dimethyl-, with the CAS registry number 29662-90-6, is also known as Cekanoic acidc10. This chemical's molecular formula is C10H20O2 and molecular weight is 172.15. What's more, both its IUPAC name and systematic name are the same which is called 2,2-Dimethyloctanoic acid.

Physical properties about Octanoic acid,2,2-dimethyl- are: (1)ACD/LogP: 3.5; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 50.03; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 355.05; (8)ACD/KOC (pH 7.4): 5.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 49.908 cm3; (15)Molar Volume: 188.277 cm3; (16)Polarizability: 19.785×10-24cm3; (17)Surface Tension: 31.74 dyne/cm; (18)Density: 0.915 g/cm3; (19)Flash Point: 121.281 °C; (20)Enthalpy of Vaporization: 55.425 kJ/mol; (21)Boiling Point: 265.569 °C at 760 mmHg; (22)Vapour Pressure: 0.00300 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(CCCCCC)(C)C
(2) InChI: InChI=1S/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
(3) InChIKey: IKNDGHRNXGEHTO-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View