Heptanaldoxime

Modify Date: 2025-08-27 07:22:29

Heptanaldoxime structure	Common Name	Heptanaldoxime
	CAS Number	629-31-2	Molecular Weight	129.200
	Density	0.9±0.1 g/cm3	Boiling Point	194.9±3.0 °C at 760 mmHg
	Molecular Formula	C₇H₁₅NO	Melting Point	57.5ºC
	MSDS	N/A	Flash Point	99.7±6.3 °C

Name	Enanthaldoxime
Synonym	More Synonyms

Density	0.9±0.1 g/cm3
Boiling Point	194.9±3.0 °C at 760 mmHg
Melting Point	57.5ºC
Molecular Formula	C₇H₁₅NO
Molecular Weight	129.200
Flash Point	99.7±6.3 °C
Exact Mass	129.115356
PSA	32.59000
LogP	2.53
Vapour Pressure	0.2±0.8 mmHg at 25°C
Index of Refraction	1.440
InChIKey	BNYNJIKGRPHFAM-BQYQJAHWSA-N
SMILES	CCCCCCC=NO

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI7385000

CHEMICAL NAME :: Heptanal, oxime

CAS REGISTRY NUMBER :: 629-31-2

BEILSTEIN REFERENCE NO. :: 1721246

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H15-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1045 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994

Heptanal

CAS#:111-71-7

~99%

Heptanaldoxime

CAS#:629-31-2

Literature: Juskowiak, M.; Krzyzanowski, P. Journal fuer Praktische Chemie (Leipzig), 1989 , vol. 331, # 5 p. 870 - 872

1-nitrohept-1-ene

CAS#:150367-10-5

~95%

Heptanaldoxime

CAS#:629-31-2

Literature: Mikesell, Peter; Schwaebe, Michael; DiMare, Marcello; Little, R. Daniel Acta Chemica Scandinavica, 1999 , vol. 53, # 10 p. 792 - 799

1-nitroheptan-2-ol

CAS#:6302-74-5

Heptanaldoxime

CAS#:629-31-2

Literature: Acta Chemica Scandinavica, , vol. 53, # 10 p. 792 - 799

Hexanal

CAS#:66-25-1

Heptanaldoxime

CAS#:629-31-2

Literature: Acta Chemica Scandinavica, , vol. 53, # 10 p. 792 - 799

1-nitroheptane

CAS#:693-39-0

Heptanaldoxime

CAS#:629-31-2

Literature: Journal of Organic Chemistry, , vol. 38, p. 3296 - 3301

Precursor 5
CAS#:111-71-7 Heptanal CAS#:150367-10-5 1-nitrohept-1-ene CAS#:6302-74-5 1-nitroheptan-2-ol CAS#:66-25-1 Hexanal
CAS#:693-39-0 1-nitroheptane
DownStream 10
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CAS#:26627-77-0 N-(N-Heptyl)-N-... CAS#:2411-36-1 tri-n-heptylamine