9-Octylheptadecan-9-ol

HCID 87239CAS 17687-72-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC
InChIKey
GIJUBRUJCGBQEM-UHFFFAOYSA-N
Molecular formula
C25H52O
Average molar mass
368.7 g/mol
Monoisotopic mass
368.40181628

Names & identifiers

Preferred name
9-Octylheptadecan-9-ol
IUPAC
9-octylheptadecan-9-ol
English name
9-Octyl-9-heptadecanol
Molecular formula
C25H52O
Molecular weight
368.68

Names & synonyms

9-octylheptadecan-9-ol17687-72-89-OCTYL-9-HEPTADECANOL9-Octylheptadecane-9-olEINECS 241-673-2(trioctylmethanol)tri-n-octylcarbinolSCHEMBL894531SCHEMBL2348414DTXSID50170202DB-044276NS00025817
Show more names
[CH3(CH2)7]3COHTRI-N-OCTYLMETHANOL9-Heptadecanol, 9-octyl-9-Octyl-9-heptadecanoltech9-Octyl-9-heptadecanolTri-n-octylmethanol

Database identifiers

CAS
17687-72-8
PubChem CID
87239
DTXSID
DTXSID50170202
EC Number
241-673-2
Nikkaji
J287.119J

Properties

Computed structural properties

XLogP
11.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
21
Heavy atoms
26

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point
411 · 411.0±13.0 °C(Predicted)
Density
0.84 · 0.840±0.06 g/cm3(Predicted)
refractive index
1.454 · 1.454-1.456
pka
15.33 · 15.33±0.29(Predicted)
Safety Statements
24 · 24/25
HS Code
29051900 · 29051900

Safety & regulation

Safety data

hs_code
29051900
safety_code
24/25

Chemistry & industry

Suppliers7 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

Loading…