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10042-59-8,MFCD00046768
Catalog No.:AA0001VQ
10042-59-8 | 2-Propylheptan-1-ol
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Technical Information
Catalog Number:
AA0001VQ
Chemical Name:
2-Propylheptan-1-ol
CAS Number:
10042-59-8
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
MDL Number:
MFCD00046768
IUPAC Name:
2-propylheptan-1-ol
InChI:
InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
InChI Key:
YLQLIQIAXYRMDL-UHFFFAOYSA-N
SMILES:
CCCCCC(CCC)CO
EC Number:
233-126-1
Properties
Computed Properties
 
Complexity:
71.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
2-Propylheptan-1-ol 
2-PROPYL-1-HEPTANOL 
YLQLIQIAXYRMDL-UHFFFAOYSA-N 
MFCD00046768 
2-propyl heptanol 
2-propyl-heptan-1-ol 
ACMC-20ann4 
AC1L2NPV 
AC1Q2VOE 
2-Propyl-1-heptanol # 
DSSTox_CID_9302 
EC 233-126-1 
10042-59-8 
DSSTox_RID_78756 
DSSTox_GSID_29302 
SCHEMBL21366 
4-01-00-01827 (Beilstein Handbook Reference) 
CHEMBL3186950 
DTXSID9029302 
CTK0H6835 
KS-000000GH 
Tox21_300903 
SBB043960 
1-Heptanol, 2-propyl- 
AKOS000274315 
AKOS016037548 
MCULE-6284162552 
NCGC00248205-01 
NCGC00254807-01 
AK144207 
AS-40646 
LS-74457 
SC-49492 
CAS-10042-59-8 
2-Propylheptanol 
RT-001439 
CS-0061487 
FT-0674101 
ST50179475 
086P588 
C-52817 
I14-60043 
UNII-ROZ1V94YZK 
ROZ1V94YZK 
Sodium 2-naphthyloxyacetate 
2-n-Propyl-1-Heptanol 
2-n-Propyl-1-heptanol,98% 
C10H22O 
CID24847 
C10-H22-O 
86-58-8 
2-Propylheptyl Alcohol 
EINECS 233-126-1 
BRN 1361442 
AI3-25311 
Literature
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