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75853-49-5

Basic Information
CAS No.: 75853-49-5
Name: 12-Methyltridecanal
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 75853-49-5 (12-Methyltridecanal)
Formula: C14H28O
Molecular Weight: 212.376
Synonyms: 12-Methyltridecanal;12-Methyl tridecanal;
EINECS: N/A
Density: 0.825 g/cm3
Melting Point: 25°C (estimate)
Boiling Point: 275.1 ºC at 760 mmHg
Flash Point: 111.5 ºC
Solubility: N/A
Appearance: Almost colourless to very slightly yellow
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 17.07000
LogP: 4.74230
Synthetic route
21987-21-3

12-methyl-1-tridecanol

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
With pyridinium chlorochromate In dichloromethane at 20℃; for 24h;98%
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 0℃; for 4h;85%
With pyridinium chlorochromate In dichloromethane for 2h;84%
With dipyridinium dichromate; 3 A molecular sieve In dichloromethane for 2h; Ambient temperature;
With Dess-Martin periodane In dichloromethane at 20℃; for 1h;
107841-96-3

13-methyltetradec-1-ene

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
With ozone In dichloromethane at -55℃; Temperature;93.5%
107841-97-4

1,2-epoxy-13-methyltetradecane

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
With periodic acid In tetrahydrofuran; diethyl ether for 4h;66.04%
5129-58-8

methyl 12-methyltridecanoate

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 93 percent / LiAlH4 / diethyl ether / 2 h / 0 °C
2: 98 percent / pyridinium chlorochromate / CH2Cl2 / 24 h / 20 °C
View Scheme
7766-50-9

1-undecen-11-ylbromide

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) Mg, 2.) dilithium tetrachlorocuprate / 1) THF, 2.) THF, -10 deg C, 4 h
2: 1.) NaBH4, Hg(OAc)2, 2.) aq. H2O2, aq. NaOH / 1) THF, 16 h, room temperature; 2) THF, 70 deg C, 1 h
3: 84 percent / pyridinium chlorochromate / CH2Cl2 / 2 h
View Scheme
156991-32-1

12-methyltridec-1-ene

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) NaBH4, Hg(OAc)2, 2.) aq. H2O2, aq. NaOH / 1) THF, 16 h, room temperature; 2) THF, 70 deg C, 1 h
2: 84 percent / pyridinium chlorochromate / CH2Cl2 / 2 h
View Scheme
88591-29-1

ethyl 12-methyltridecanoate

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / LiAlH4 / tetrahydrofuran
2: pyridinium dichromate (PDC), molecular sieves 3A / CH2Cl2 / 2 h / Ambient temperature
View Scheme
157922-16-2

ethyl E-12-methyltridec-2-enoate

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 74 percent / H2 / 10percent Pd/C / ethanol / Ambient temperature
2: 100 percent / LiAlH4 / tetrahydrofuran
3: pyridinium dichromate (PDC), molecular sieves 3A / CH2Cl2 / 2 h / Ambient temperature
View Scheme
112-47-0

1,10-Decanediol

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogen bromide / water; toluene / 48 h / Reflux
2: dilithium tetrachlorocuprate / tetrahydrofuran / 20 h / -78 °C
3: oxalyl dichloride; dimethyl sulfoxide; triethylamine / dichloromethane / 4 h / -78 - 0 °C
View Scheme
53463-68-6

1-bromo-10-decanol

75853-49-5

12-methyltridecan-1-al

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dilithium tetrachlorocuprate / tetrahydrofuran / 20 h / -78 °C
2: oxalyl dichloride; dimethyl sulfoxide; triethylamine / dichloromethane / 4 h / -78 - 0 °C
View Scheme
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Chemistry

Molecular Structure of 12-Methyltridecanal (CAS No.75853-49-5):

Molecular Formula: C14H28
Molecular Weight: 212.3715
CAS No: 75853-49-5
IUPAC Name: 12-Methyltridecanal
Product Categories: Aldehyde Flavor
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.434
Molar Refractivity: 67.05 cm3
Molar Volume: 257.3 cm3
Surface Tension: 28.6 dyne/cm
Density: 0.825 g/cm3
Flash Point: 111.5 °C
Enthalpy of Vaporization: 51.35 kJ/mol
Boiling Point: 275.1 °C at 760 mmHg
Vapour Pressure: 0.0052 mmHg at 25°C
InChI: InChI=1/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKey: OQWNKUAZQSLNSR-UHFFFAOYAC
Std. InChI: InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
Std. InChIKey: OQWNKUAZQSLNSR-UHFFFAOYSA-N

Specification

  12-Methyltridecanal (CAS No.75853-49-5), its synonyms are Tridecanal, 12-methyl- ; 12-MT Aldehyde .