Isovaleraldehyde
Names
[ CAS No. ]:
590-86-3
[ Name ]:
Isovaleraldehyde
[Synonym ]:
EINECS 209-691-5
Butanal, 3-methyl-
ISOAMYLALDEHYDE
FEMA 2692
3-methyl-butanal
Isovaleraldehyde
Isovaleral
β-Methylbutanal
MFCD00007014
VH1Y1&1
isovaleric aldehyde
3-methylbutyraldehyde
ISO-PENTANAL
Isovaleraldehyd
3-Methylbutanal
iso-C4H9CHO
isobutyric aldehyde
3-methyl-butana
ISOPENTALDEHYDE
Isoamylaldehyd
Chemical & Physical Properties
[ Density]:
0.8±0.1 g/cm3
[ Boiling Point ]:
93.5±8.0 °C at 760 mmHg
[ Melting Point ]:
-60 °C
[ Molecular Formula ]:
C5H10O
[ Molecular Weight ]:
86.132
[ Flash Point ]:
-1.7±0.0 °C
[ Exact Mass ]:
86.073166
[ PSA ]:
17.07000
[ LogP ]:
1.25
[ Vapour density ]:
2.96 (vs air)
[ Vapour Pressure ]:
49.3±0.2 mmHg at 25°C
[ Index of Refraction ]:
1.383
[ Stability ]:
Stable, but light and air sensitive. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, bases, reducing agents, air.
[ Water Solubility ]:
15 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ES3450000
- CHEMICAL NAME :
- Butyraldehyde, 3-methyl-
- CAS REGISTRY NUMBER :
- 590-86-3
- BEILSTEIN REFERENCE NO. :
- 0773692
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 16
- MOLECULAR FORMULA :
- C5-H10-O
- MOLECULAR WEIGHT :
- 86.15
- WISWESSER LINE NOTATION :
- VH1Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,271,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,271,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(12),53,1987
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 42700 mg/m3/4H
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSCIAE Clinical Science. (Biochemical Society Book Depot, POB 32, Commerce Way Colchester, Essex CO2 8HP, UK) V.1-44, 1933-73; V.56- 1979- Volume(issue)/page/year: 61,451,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(5),60,1983
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50770 mg/m3
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - excitement Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(5),60,1983
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 14,710,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3180 uL/kg
- TOXIC EFFECTS :
- Liver - other changes Skin and Appendages - dermatitis, other (after systemic exposure)
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 2950 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(5),60,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >8 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,379,1988 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993
Safety Information
[ Symbol ]:
GHS02, GHS07, GHS09
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H317-H319-H335-H411
[ Precautionary Statements ]:
P210-P261-P273-P280-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
[ Risk Phrases ]:
R11;R36/37/38
[ Safety Phrases ]:
S7-S16-S26-S36-S37/39
[ RIDADR ]:
UN 1989 3/PG 2
[ WGK Germany ]:
1
[ RTECS ]:
ES3450000
[ Packaging Group ]:
II
[ Hazard Class ]:
3
[ HS Code ]:
29121900
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%
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