2-Methylene-octanal

HCID 11205795CAS 22414-64-8
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(C=O)CCCCCC
InChIKey
KWUBTLAZZWBMRT-UHFFFAOYSA-N
Molecular formula
C9H16O
Average molar mass
140.22 g/mol
Monoisotopic mass
140.12011513

Names & identifiers

Preferred name
2-Methylene-octanal
IUPAC
2-methylideneoctanal
English name
2-Methylene-octanal
Molecular formula
C9H16O
Molecular weight
140.22

Names & synonyms

2-Methyleneoctanal2-METHYLENE-OCTANAL22414-64-82-methylideneoctanal2-hexyl-2-propenala-methylene octanal2-methylene octanalSCHEMBL182420SCHEMBL1834458SCHEMBL6709499DTXSID90458617KWUBTLAZZWBMRT-UHFFFAOYSA-N
Show more names
Octanal, 2-methylene-
MFCD090327312-Methyleneoctanal, stab. with MEHQAKOS006330566G90600

Database identifiers

CAS
22414-64-8
PubChem CID
11205795
DTXSID
DTXSID90458617
EC Number
607-067-0
Nikkaji
J1.414.460I

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
10

Physicochemical properties

Boiling point
78 °C · 78 °C(Press: 15 Torr)
Density
0.8407 g/cm3 · 0.8407 g/cm3
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

Loading…