Isovaleraldehyde

Modify Date: 2025-08-21 20:18:57

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
InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES CC(C)CC=O
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%

 Articles42

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 Synonyms

EINECS 209-691-5
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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