1.0
2010-04-08 22:07:58 UTC
2019-11-26 03:02:16 UTC
FDB008201
2-Methylpentanal
It is used as a food additive .
α-methyl valeraldehyde
α-methylpentenal
2-Formylpentane
2-Methyl-n-valeraldehyde
2-Methylpental
2-Methylpentaldehyde
2-Methylvaleraldehyde
2-Methylvaleric aldehyde
Alpha-methylpentanal
Alpha-methylpentenal
alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]
FEMA 3413
Methylpentaldehyde
n-C3H7CH(CH3)CHO
Pentanal, 2-methyl-
Pentanal, methyl-
Valeraldehyde, 2-methyl-
Valeraldehyde, 2-methyl- (8CI)
C6H12O
100.1589
100.088815006
2-methylpentanal
2-methylpentaldehyde
123-15-9
CCCC(C)C=O
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
FTZILAQGHINQQR-UHFFFAOYSA-N
logp
1.72
logs
-1.25
solubility
5.63e+00 g/l
logp
1.75
pka_strongest_acidic
16.11
pka_strongest_basic
-7
iupac
2-methylpentanal
average_mass
100.1589
mono_mass
100.088815006
smiles
CCCC(C)C=O
formula
C6H12O
inchi
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
inchikey
FTZILAQGHINQQR-UHFFFAOYSA-N
polar_surface_area
17.07
refractivity
30.12
polarizability
12.13
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21530
Specdb::CMs
170102
Specdb::MsIr
4667
Specdb::MsIr
4668
Specdb::NmrOneD
164709
Specdb::NmrOneD
164710
Specdb::NmrOneD
164711
Specdb::NmrOneD
164712
Specdb::NmrOneD
164713
Specdb::NmrOneD
164714
Specdb::NmrOneD
164715
Specdb::NmrOneD
164716
Specdb::NmrOneD
164717
Specdb::NmrOneD
164718
Specdb::NmrOneD
164719
Specdb::NmrOneD
164720
Specdb::NmrOneD
164721
Specdb::NmrOneD
164722
Specdb::NmrOneD
164723
Specdb::NmrOneD
164724
Specdb::NmrOneD
164725
Specdb::NmrOneD
164726
Specdb::NmrOneD
164727
Specdb::NmrOneD
164728
Specdb::MsMs
84624
Specdb::MsMs
84625
Specdb::MsMs
84626
Specdb::MsMs
146517
Specdb::MsMs
146518
Specdb::MsMs
146519
Specdb::MsMs
2396241
Specdb::MsMs
2396242
Specdb::MsMs
2396243
Specdb::MsMs
2539835
Specdb::MsMs
2539836
Specdb::MsMs
2539837
Garden onion
Type 1
specific
Allium cepa
4679
ethereal
fruity
green