2-Ethylbutanal

Names

[ CAS No. ]:
97-96-1

[ Name ]:
2-Ethylbutanal

[Synonym ]:
EINECS 202-623-5
2-Ethylbutyraldehyde
VHY2&2
α-Ethylbutyraldehyde
Butanal, 2-ethyl-
2-Ethylbutanal
2-Ethylbutyric aldehyde
MFCD00006985

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

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

[ Melting Point ]:
-89ºC

[ Molecular Formula ]:
C₆H₁₂O

[ Molecular Weight ]:
100.159

[ Flash Point ]:
21.1±0.0 °C

[ Exact Mass ]:
100.088814

[ PSA ]:
17.07000

[ LogP ]:
1.78

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

[ Index of Refraction ]:
1.394

[ Stability ]:
Stability Stable, but air sensitive. Flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, strong reducing agents, oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES2625000

CHEMICAL NAME :: Butyraldehyde, 2-ethyl-

CAS REGISTRY NUMBER :: 97-96-1

BEILSTEIN REFERENCE NO. :: 1209330

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H12-O

MOLECULAR WEIGHT :: 100.18

WISWESSER LINE NOTATION :: VHY2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 12/14/1971 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3980 mg/kg

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

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8000 ppm/4H

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

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5990 uL/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 12/14/1971

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:Highlyflammable;Xi:Irritant;

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

[ Safety Phrases ]:
S16-S26-S36

[ RIDADR ]:
UN 1178 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
ES2625000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2912190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Controlling Selectivity in the Consecutive Reaction Network of Aldoxime Hydrogenation to Primary Amines. Gebauer-Henke E, et al., DOI: 10.1039/C2CY20356A

Synthesis 102

Highly diastereoselective reactions using masked allylic zinc reagents. Jones P and Knochel P.

Chem. Commun. (Camb.) 21 , 2407-2408, (1998)