CAS 590-86-3|Isovaleraldehyde

Introduction：Basic information about CAS 590-86-3|Isovaleraldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles42
7. Synonyms

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	ChineseUSA	Flash Point	-1.7±0.0 °C
Symbol	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
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

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

Comparison of Aroma-Active Volatiles in Oolong Tea Infusions Using GC-Olfactometry, GC-FPD, and GC-MS.

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...

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

Recommended......