1.0
2010-04-08 22:09:57 UTC
2019-11-26 03:06:01 UTC
FDB012034
Isoprenyl alcohol
Isoprenyl alcohol is a flavouring ingredient. It is found in ylang ylang, orange juice, lemon juice, pineapple and other fruits.
α,α-dimethylallyl alcohol
1-Buten-3-ol, 3-methyl-
1, 1-Dimethyl-2-propenol
1, 1-Dimethylallyl alcohol
1,1-Dimethyl-2-propanol
1,1-Dimethyl-2-propenol
1,1-Dimethylallyl alchol
1,1-Dimethylallyl alcohol
2-methyl but-3-ene-2-ol
2-Methyl-2-hydroxy-3-butene
2-Methyl-3-buten-2-ol
2-Methyl-3-buten-2-yl alcohol
2-Methyl-3-butene-2-ol
2-Methylbut-3-en-2-ol
3-Buten-2-ol, 2-methyl-
3-Butyn-2-ol, 2-methyl- (8CI,9CI)
3-Hydroxy-3-methyl-1-butene
3-Hydroxy-3-methylbutene
3-Methyl-1-buten-3-ol
3-Methyl-1-butene-3-ol
3-Methyl-buten-(1)-ol-(3)
Alpha,alpha-dimethylallyl alcohol
CH2=CHC(CH3)2OH
Dimethylvinylcarbinol
Dimethylvinylmethanol
Isoprenyl alcohol
Methylbutenol
Vinyldimethylcarbinol
C5H10O
86.1323
86.073164942
2-methylbut-3-en-2-ol
3-buten-2-ol, 2-methyl-
115-18-4
CC(C)(O)C=C
InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
HNVRRHSXBLFLIG-UHFFFAOYSA-N
Liquid
logp
1.20
logs
-0.47
solubility
2.94e+01 g/l
melting_point
-28 oC
logp
0.91
pka_strongest_acidic
17.84
pka_strongest_basic
-1.6
iupac
2-methylbut-3-en-2-ol
average_mass
86.1323
mono_mass
86.073164942
smiles
CC(C)(O)C=C
formula
C5H10O
inchi
InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
inchikey
HNVRRHSXBLFLIG-UHFFFAOYSA-N
polar_surface_area
20.23
refractivity
26.48
polarizability
10.07
rotatable_bond_count
1
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::EiMs
1839
Specdb::CMs
24521
Specdb::CMs
43540
Specdb::CMs
169985
Specdb::MsMs
67179
Specdb::MsMs
67180
Specdb::MsMs
67181
Specdb::MsMs
124929
Specdb::MsMs
124930
Specdb::MsMs
124931
Specdb::MsMs
3037004
Specdb::MsMs
3037005
Specdb::MsMs
3037006
Specdb::MsMs
3106451
Specdb::MsMs
3106452
Specdb::MsMs
3106453
Specdb::MsIr
6308
Specdb::MsIr
6309
Specdb::MsIr
6310
Specdb::NmrOneD
3808
Specdb::NmrOneD
4073
Specdb::NmrOneD
123298
Specdb::NmrOneD
123299
Specdb::NmrOneD
123300
Specdb::NmrOneD
123301
Specdb::NmrOneD
123302
Specdb::NmrOneD
123303
Specdb::NmrOneD
123304
Specdb::NmrOneD
123305
Specdb::NmrOneD
123306
Specdb::NmrOneD
123307
Specdb::NmrOneD
123308
Specdb::NmrOneD
123309
Specdb::NmrOneD
123310
Specdb::NmrOneD
123311
Specdb::NmrOneD
123312
Specdb::NmrOneD
123313
Specdb::NmrOneD
123314
Specdb::NmrOneD
123315
Specdb::NmrOneD
123316
Specdb::NmrOneD
123317
HMDB33854
#<Reference:0x0000555670e186f8>
Blackberry
Type 1
specific
Rubus
Blackcurrant
Type 1
specific
Ribes nigrum
78511
Citrus
Unknown
generic
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Fruits
Unknown
generic
earthy
herb
herbal
oily