UNII:64L45T2504

Names

[ CAS No. ]:
123-15-9

[ Name ]:
UNII:64L45T2504

[Synonym ]:
2-methylpentaldehyde
Methylpentaldehyde
UNII:64L45T2504
Pentanal, 2-methyl-
Methyl valeraldehyde
Pentanal, methyl-
EINECS 204-605-2
2-Methylpentanal
MFCD00006986
2-Methylvaleraldehyde

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
118.1±8.0 °C at 760 mmHg

[ Melting Point ]:
-60ºC

[ Molecular Formula ]:
C₆H₁₂O

[ Molecular Weight ]:
100.159

[ Flash Point ]:
16.7±0.0 °C

[ Exact Mass ]:
100.088814

[ PSA ]:
17.07000

[ LogP ]:
1.78

[ Vapour density ]:
3.45 (vs air)

[ Vapour Pressure ]:
16.9±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.394

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RZ6905000

CHEMICAL NAME :: Pentanal, 2-methyl-

CAS REGISTRY NUMBER :: 123-15-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H12-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 :: >3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1500 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H315-H319-H335

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable;Xi:Irritant;

[ Risk Phrases ]:
R11;R36/37/38;R52/53

[ Safety Phrases ]:
S16-S26-S36

[ RIDADR ]:
UN 2367 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
RZ6905000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2912190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pent-1-ene
carbon monoxide
2-Methylpentanoic acid
2-Hexanol
Hexanal
trans-2-pentene
2-Methyl-2-pentenal
2-Pentene, (2E)-
1-methoxy-2-methylpentan-2-ol
trans-2-Methyl-2-pentenal

DownStream

4-METHYL-5-NONANONE
2-Methylpentyl 2-methylpentanoate
Ethyl 2-Methylpentanoate
2-Hexanol, 3-methyl-
2-Pentanol
2-Methylpentanoic acid
pentan-2-yl formate
Pentan-2-one
4-METHYL-1-HEPTYN-3-OL
2-Methyl-2-propylpropan-1,3-diol

Customs

[ HS Code ]: 2912190090

[ Summary ]:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Preparation of C9-aldehyde via aldol condensation reactions in ionic liquid media.

Chem. Commun. (Camb.) , 1610, (2002)

C9-aldehyde has been prepared via aldol condensation reactions in ionic liquid media; catalyst investigation showed enhanced product selectivity for the desired aldehyde in ionic liquid media than in ...

Oxidation of aldehydes to acyl azides by chromic anhydride-azidotrimethylsilane. Lee JG and Kwak KH.

Tetrahedron Lett. 33(22) , 3165-66, (1992)

2-(Bromomethyl)-1-(trifluoromethyl)piperidine
4-(Aminomethyl)-3-(methoxymethyl)hexan-3-ol
3-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(1H-imidazol-2-yl)propanamide
N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(9H-purin-6-yl)piperidine-4-carboxamide
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(3-morpholinopropyl)benzamide
3-(3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl)-N-(pyridin-4-yl)propanamide
N-[4-oxo-3-(propan-2-yl)-3,4-dihydroquinazolin-6-yl]pyridine-2-carboxamide
N-[2-(4-chloro-1H-indol-1-yl)ethyl]-5-fluoro-2-(1H-1,2,3,4-tetraazol-1-yl)benzamide
N-[2-(2-ethyl-4-oxoquinazolin-3(4H)-yl)ethyl]-1H-indole-4-carboxamide
1-cyclopropyl-N-(trifluoromethyl)pyrrolidin-3-amine

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