CAS 589-38-8|3-Hexanone

Introduction：Basic information about CAS 589-38-8|3-Hexanone, 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. Articles8
6. Synonyms

Common Name	3-Hexanone
CAS Number	589-38-8	Molecular Weight	100.159
Density	0.8±0.1 g/cm3	Boiling Point	125.5±3.0 °C at 760 mmHg
Molecular Formula	C₆H₁₂O	Melting Point	-55°C
MSDS	ChineseUSA	Flash Point	35.0±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Warning

Names

Name	3-Hexanone
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	125.5±3.0 °C at 760 mmHg
Melting Point	-55°C
Molecular Formula	C₆H₁₂O
Molecular Weight	100.159
Flash Point	35.0±0.0 °C
Exact Mass	100.088814
PSA	17.07000
LogP	1.44
Vapour Pressure	12.1±0.2 mmHg at 25°C
Index of Refraction	1.395
InChIKey	PFCHFHIRKBAQGU-UHFFFAOYSA-N
SMILES	CCCC(=O)CC
Stability	Stable, but may form peroxides on prolonged storage. Flammable. Incompatible with oxidizing agents, reducing agents, strong bases.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP1575000

CHEMICAL NAME :: 3-Hexanone

CAS REGISTRY NUMBER :: 589-38-8

BEILSTEIN REFERENCE NO. :: 1738025

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H12-O

MOLECULAR WEIGHT :: 100.18

WISWESSER LINE NOTATION :: 2V3

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: -,284,1986

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: -,284,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3360 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4000 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3170 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage)

REFERENCE :: BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934 Volume(issue)/page/year: -,-,1934

Safety Information

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H315-H319-H335
Precautionary Statements	P261-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;Xi:Irritant;
Risk Phrases	R11;R36/37/38
Safety Phrases	S26-S36-S16-S9
RIDADR	UN 1224 3/PG 3
WGK Germany	3
RTECS	MP1575000
Packaging Group	III
Hazard Class	3

Articles8

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

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Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ...

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Talanta 89 , 360-8, (2012)

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Tetranychus urticae-triggered responses promote genotype-dependent conspecific repellence or attractiveness in citrus.

New Phytol. 207 , 790-804, (2015)

The citrus rootstocks sour orange and Cleopatra mandarin display differential resistance against Tetranychus urticae. Sour orange plants support reduced oviposition, growth rates and damage compared w...

Synonyms

diethylacetamine

hexan-3-one

ethyl n-propyl ketone

ethyl N-pivaloylbenzimidate

ethyl propyl ketone

methylpentan-2-one

mono-diethylacetal

EINECS 209-645-4

3-Hexanone

MFCD00009402

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