6-Octenal, 3,7-dimethyl-, oxime

HCID 89723

Notes Reactions

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Basic information

CAS: 22457-25-6
Standard SMILES: CC(C)=CCCC(C)CC=NO
InChIKey: JUCCIEVMICHZPK-UHFFFAOYSA-N
Molecular formula: C10H19NO
Average molar mass: 169.26 g/mol
Monoisotopic mass: 169.14666423

Names & identifiers

Preferred name: 6-Octenal, 3,7-dimethyl-, oxime
IUPAC: N-(3,7-dimethyloct-6-enylidene)hydroxylamine
English name: 3,7-dimethyloct-6-enal oxime
Molecular formula: C10H19NO
Molecular weight: 169.26

Names & synonyms

6-Octenal, 3,7-dimethyl-, oxime22457-25-66-Octenaldoxime, 3,7-dimethyl-EINECS 245-011-3NSC 152365AI3-12093DTXSID30885206RefChem:105191DTXCID301024600Citronellal oximeCitronellaloximSCHEMBL3273714

Show more names

3,7-Dimethyl-6-octenal oxime3,7-dimethyloct-6-enal oxime

3,7-dimethyl-oct-6-enal oximeNS00050124N-(3,7-dimethyloct-6-en-1-ylidene)hydroxylamine

Database identifiers

CAS: 22457-25-6
PubChem CID: 89723
DTXSID: DTXSID30885206
EC Number: 245-011-3

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 124 · 124-125 °C
Density: 0.8971 g/cm3 · 0.8971 g/cm3(Temp: 27.5 °C)
pka: 11.29 · 11.29±0.14(Predicted)
Odor: 100 % · at 100.00 %. citrus bergamot lime
Odor Type: citrus
LogP: 3.253 · 3.253 (est)
EPA Substance Registry System: 6 · 6-Octenal, 3,7-dimethyl-, oxime (22457-25-6)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 319 · H319-H411
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 1.9% (2 of 106) of reports.

Warning

H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (98.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 106 reports by companies.；There is 1 notification provided by 104 of 106 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.