Isovaleraldehyde

Modify Date: 2024-01-02 19:24:55

Isovaleraldehyde Structure
Isovaleraldehyde structure
Common Name Isovaleraldehyde
CAS Number 590-86-3 Molecular Weight 86.132
Density 0.8±0.1 g/cm3 Boiling Point 93.5±8.0 °C at 760 mmHg
Molecular Formula C5H10O Melting Point -60 °C
MSDS Chinese USA Flash Point -1.7±0.0 °C
Symbol GHS02 GHS07 GHS09
GHS02, GHS07, GHS09
Signal Word Danger

 Names

Name 3-methylbutanal
Synonym More Synonyms

 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)

 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
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

 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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 Synonyms

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
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