butyl methyl ketone 591-78-6

butyl methyl ketone

Suppliers organoleptics properties safety references cosmetics FEMA Index Home Page

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

hexan-2-one

InChI :

InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

InChIKey :

QQZOPKMRPOGIEB-UHFFFAOYAQ

SMILES :

CCCCC(=O)C

cas number :	591-78-6
(EINECS) number :	209-731-1
eu annex :	606-030-00-6
beilstein number :	1737676
coe number :	11776
fl. number :	07.163
molar refractivity :	29.87 ± 0.3 cm3
parachor :	275.9 ± 4.0 cm3
index of refraction :	1.394 ± 0.02
surface tension :	23.9 ± 3.0 dyne/cm
density :	0.803 ± 0.06 g/cm3
polarizability :	11.84 ± 0.5 10-24cm3
XlogP :	1.60
XlogP3 :	1.40
molecular weight :	100.1588800 (IUPAC)
formula :	C6 H12 O
BioActivity Analysis :	48415260
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

N-Butyl methyl ketone
98%

Sigma-Aldrich-Fluka :

2-Hexanone
purum, ≥96.0% (GC)

TCI AMERICA :

Butyl Methyl Ketone
>98.0%(GC)

organoleptics :

odor description :

ether

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

-57.00 °C. @ 760.00 mm Hg

boiling point :

127.00 to 128.00 °C. @ 760.00 mm Hg

vapor pressure :

11.60000 mm/Hg @ 25.00 °C.

flash point :

95.00 °F. TCC ( 35.00 °C. )

logP (o/w) :

1.38

safety :

most important hazard(s) :

T - Toxic.

R 10 - Flammable.
R 48/23 - Toxic: danger of serious damage to health by prolonged exposure through inhalation.
R 62 - Possible risk of impaired fertility.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
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 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.

Oral Toxicity(LD50) :

Oral-Rat 2590.00 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Oral-Mouse 2430.00 mg/kg
Toxicology Letters. Vol. 30, Pg. 13, 1986.

Dermal Toxicity(LD50) :

Skin-Rabbit 4800.00 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.

Inhalation Toxicity(LC50) :

Inhalation-Rat 8000.00 ppm/4H
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.

safety in use :

recommendation for butyl methyl ketone usage levels up to :

not for fragrance use.

safety references :

EPI System :

view

NIOSH International Chemical Safety Cards :

NIOSH Pocket Guide :

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

UN 1224

hexan-2-one

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

591-78-6

references :

hexan-2-one

fl. number :

07.163

NIST Chemistry WebBook :

2043017764

pubchem :

154889

Cosmetics :

Cosmetic uses :

not used anymore

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
N-	butyl methyl ketone
	hexan-2-one
2-oxo	hexane
2-	hexanone
	methyl butyl ketone
	methyl N-butyl ketone
	propyl acetone
soluble in :
	alcohol
	water, 17500 mg/L @ 20C
insoluble in :
	water
natural occurrence in :
data page	clove bud oil @ 0.05%
data page	clove leaf oil @ 0.03%
data page	clove stem oil india @ 0.05%

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home