methyl vinyl ketone 78-94-4

methyl vinyl ketone

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IUPAC name :

but-3-en-2-one

InChI :

InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

InChIKey :

FUSUHKVFWTUUBE-UHFFFAOYAV

SMILES :

CC(=O)C=C

cas number :	78-94-4
(EINECS) number :	201-160-6
beilstein number :	0506021
coe number :	11043
fl. number :	07.145
molar refractivity :	20.33 ± 0.3 cm3
parachor :	185.3 ± 4.0 cm3
index of refraction :	1.384 ± 0.02
surface tension :	20.8 ± 3.0 dyne/cm
density :	0.807 ± 0.06 g/cm3
polarizability :	8.06 ± 0.5 10-24cm3
XlogP :	0.40
molecular weight :	70.0898400
formula :	C4 H6 O
BioActivity Analysis :	556080
NMR Predictor :	Predict

export tariff code :

2914.19.0000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

3-Buten-2-one
99%

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.84200 @ 25.00 °C.

melting point :

-8.00 to -6.00 °C. @ 760.00 mm Hg

boiling point :

81.00 to 83.00 °C. @ 760.00 mm Hg

boiling point :

32.00 to 34.00 °C. @ 60.00 mm Hg

vapor pressure :

152.00000 mm/Hg @ 25.00 °C.

vapor density :

1.3 ( Air = 1 )

flash point :

20.00 °F. TCC ( -6.67 °C. )

logP (o/w) :

0.41

shelf life :

6.00 month(s) or longer if stored properly.

storage :

refrigerate in tightly sealed containers.

moisture Sensitive.

safety :

most important hazard(s) :

T+ N - Very toxic, Dangerous for the environment.

R 11 - Highly flammable.
R 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
R 43 - May cause sensitisation by skin contact.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Oral Toxicity(LD50) :

Oral-Mouse    23.30  mg/kg

Oral-Rat    23.10  mg/kg

Oral-Guineapig    15.00  mg/kg

Intraperitoneal-Mouse    76.00  mg/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Inhalation-Rat  7.00  mg/m3/4H

Inhalation-Mouse  8.00  mg/m3/2H

safety in use :

recommendation for methyl vinyl ketone usage levels up to :

not for fragrance use.

recommendation for methyl vinyl ketone usage levels up to :

not for flavor use.

safety references :

EPI System :

view

NIOSH International Chemical Safety Cards :

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1251

WGK Germany :

but-3-en-2-one

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

78-94-4

dtp/nci :

120081

references :

but-3-en-2-one

fl. number :

07.145

NIST Chemistry WebBook :

236631798

pubchem :

149534

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	acetyl ethylene
	but-3-en-2-one
3-	buten-2-one
3-	butene-2-one
	butenone
2-	butenone
delta(sup 3)-2-	butenone
gamma-oxo-alpha-	butylene
	methyl ethenyl ketone
	methylene acetone
	vinyl methyl ketone
soluble in :
	alcohol
	water, 60600 mg/L @ 25C
natural occurrence in :
data page	lavender oil spike spain @ 0.011%

information only - not sold by The Good Scents Company.

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