1.0
2010-04-08 22:09:59 UTC
2019-11-26 03:06:11 UTC
FDB012104
(±)-2-Heptanol
Flavouring ingredient
C7H16O
116.2013
116.120115134
heptan-2-ol
2-heptanol
52390-72-4
CCCCCC(C)O
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
CETWDUZRCINIHU-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
Fatty alcohols
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohols
Aliphatic acyclic compounds
Hydrocarbon derivatives
Secondary alcohols
Alcohol
Aliphatic acyclic compound
Fatty alcohol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Secondary alcohol
logp
2.34
logs
-1.41
solubility
4.54e+00 g/l
logp
2.11
pka_strongest_acidic
17.68
pka_strongest_basic
-1.6
iupac
heptan-2-ol
average_mass
116.2013
mono_mass
116.120115134
smiles
CCCCCC(C)O
formula
C7H16O
inchi
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
inchikey
CETWDUZRCINIHU-UHFFFAOYSA-N
polar_surface_area
20.23
refractivity
35.76
polarizability
15.1
rotatable_bond_count
4
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::EiMs
1934
Specdb::MsIr
6339
Specdb::MsIr
6340
Specdb::MsIr
6341
Specdb::CMs
2824
Specdb::CMs
27975
Specdb::CMs
28179
Specdb::CMs
43575
Specdb::CMs
101439
Specdb::CMs
101440
Specdb::CMs
130768
Specdb::CMs
138502
Specdb::MsMs
10889
Specdb::MsMs
10890
Specdb::MsMs
10891
Specdb::MsMs
17561
Specdb::MsMs
17562
Specdb::MsMs
17563
Specdb::MsMs
2414719
Specdb::MsMs
2414720
Specdb::MsMs
2414721
Specdb::MsMs
2551790
Specdb::MsMs
2551791
Specdb::MsMs
2551792
Specdb::NmrOneD
3902
Specdb::NmrOneD
4176
Specdb::NmrOneD
123578
Specdb::NmrOneD
123579
Specdb::NmrOneD
123580
Specdb::NmrOneD
123581
Specdb::NmrOneD
123582
Specdb::NmrOneD
123583
Specdb::NmrOneD
123584
Specdb::NmrOneD
123585
Specdb::NmrOneD
123586
Specdb::NmrOneD
123587
Specdb::NmrOneD
123588
Specdb::NmrOneD
123589
Specdb::NmrOneD
123590
Specdb::NmrOneD
123591
Specdb::NmrOneD
123592
Specdb::NmrOneD
123593
Specdb::NmrOneD
123594
Specdb::NmrOneD
123595
Specdb::NmrOneD
123596
Specdb::NmrOneD
123597
Anatidae
Type 1
specific
Anatidae
8830
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Asparagus
Type 1
specific
Asparagus officinalis
4686
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Blackberry
Type 1
specific
Rubus
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Celery stalks
Type 1
specific
Apium graveolens var. dulce
117781
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Milk (Cow)
Type 2
specific
0.000532
0.000975
0.00008865
uM
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Mung bean
Type 1
specific
Vigna radiata
157791
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rabbiteye blueberry
Type 1
specific
Vaccinium virgatum
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Soy bean
Type 1
specific
Glycine max
3847
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823