Isobutyraldehyde
Names
[ CAS No. ]:
78-84-2
[ Name ]:
Isobutyraldehyde
[Synonym ]:
Isobutaldehyde
isobutyral
EINECS 201-149-6
Isobutyraldehyde
iso-C3H7CHO
α-Methylpropionaldehyde
FEMA 2220
1-keto-2-methylpropane
2-Methylpropanal
isobutyric
2-methylpropan-1-al
2-methyl-1-propanal
iso-Butanal
MFCD00006980
methylpropanal
valinealdehyde
2-METHYL-PROPANAL
Propanal, 2-methyl-
isobutyric aldehyde
2-methyl-propionaldehyde
Chemical & Physical Properties
[ Density]:
0.8±0.1 g/cm3
[ Boiling Point ]:
67.1±8.0 °C at 760 mmHg
[ Melting Point ]:
−65 °C(lit.)
[ Molecular Formula ]:
C4H8O
[ Molecular Weight ]:
72.106
[ Flash Point ]:
-18.9±0.0 °C
[ Exact Mass ]:
72.057518
[ PSA ]:
17.07000
[ LogP ]:
0.72
[ Vapour density ]:
2.5 (vs air)
[ Vapour Pressure ]:
147.4±0.1 mmHg at 25°C
[ Index of Refraction ]:
1.367
[ Stability ]:
Stable. Refrigerate. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong acids, strong reducing agents.
[ Water Solubility ]:
75 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NQ4025000
- CHEMICAL NAME :
- Isobutyraldehyde
- CAS REGISTRY NUMBER :
- 78-84-2
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C4-H8-O
- MOLECULAR WEIGHT :
- 72.12
- WISWESSER LINE NOTATION :
- VHY1&1
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: 11/3/1971 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 960 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Gastrointestinal - necrotic changes Blood - hemorrhage
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(5),104,1972
- 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: 10,61,1954
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 39500 mg/m3/2H
- TOXIC EFFECTS :
- Behavioral - excitement Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - pleural thickening
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 37(5),104,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 7130 uL/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: 10,61,1954 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84782 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 705 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84782 No. of Facilities: 32 (estimated) No. of Industries: 3 No. of Occupations: 2 No. of Employees: 4114 (estimated) No. of Female Employees: 655 (estimated)
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H319
[ Precautionary Statements ]:
P210-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)
[ Hazard Codes ]:
F:Flammable
[ Risk Phrases ]:
R11;R22
[ Safety Phrases ]:
S16-S36/37-S9-S33-S29
[ RIDADR ]:
UN 2045 3/PG 2
[ WGK Germany ]:
1
[ RTECS ]:
NQ4025000
[ Packaging Group ]:
II
[ Hazard Class ]:
3
[ HS Code ]:
2912190090
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
J. Agric. Food Chem. 63 , 7499-510, (2015)
The aroma profile of oolong tea infusions (Dongdingwulong, DDWL; Tieguanyin, TGY; Dahongpao, DHP) were investigated in this study. Gas chromatography-olfactometry (GC-O) with the method of aroma inten...
Orientation to determine quality attributes of flavoring excipients containing volatile molecules.J. Pharm. Biomed. Anal. 110 , 20-6, (2015)
Pharmaceutical excipients containing volatile odor-active molecules can be used in pharmaceutical development to increase patients' compliance. However, capturing the molecular composition of these od...
Alkaline comet assay in liver and stomach, and micronucleus assay in bone marrow, from rats treated with 2-acetylaminofluorene, azidothymidine, cisplatin, or isobutyraldehyde.Mutat. Res. Genet. Toxicol. Environ. Mutagen. 786-788 , 77-86, (2015)
As part of the Japanese Center for the Validation of Alternative Methods (JaCVAM) initiative international validation study of the in vivo rat alkaline comet assay (comet assay), we examined the abili...