2-butoxyethanol
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IUPAC name :2-butoxyethanol
InChI :InChI=1/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKey :POAOYUHQDCAZBD-UHFFFAOYAB
SMILES :CCCCOCCO
cas number :111-76-2
(EINECS) number :203-905-0
eu annex :603-014-00-0
beilstein number :1732511
coe number :10182
fl. number :02.242
molar refractivity :33.12 ± 0.3 cm3
parachor :307.2 ± 4.0 cm3
index of refraction :1.418 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :13.13 ± 0.5 10-24cm3
XlogP : 0.70
XlogP3 : 0.80
molecular weight : 118.1741600 (IUPAC)
formula :C6 H14 O2
NMR Predictor :Predict
 
 
export tariff code :2909.43.0000
fda reg :173.315
175.105
176.210
177.1650
178.1010
Suppliers :
Nanjing :ethylene glycol monobutyl ether
Penta :2-butoxyethanol
Pfaltz & Bauer :2-Butoxyethanol
99%
TCI AMERICA :Ethylene Glycol Monobutyl Ether
>99.0%(GC)
organoleptics :
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89900 to 0.90500 @ 25.00 °C.
pounds per gallon - calc. : 7.481 to 7.531
refractive index :1.41600 to 1.42200 @ 20.00 °C.
melting point : -75.00 °C. @ 760.00 mm Hg
boiling point : 168.00 to 170.00 °C. @ 760.00 mm Hg
vapor pressure :0.88000 mm/Hg @ 25.00 °C.
vapor density :4.1 ( Air = 1 )
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 0.83
safety :
most important hazard(s) :Xn - Harmful.
  R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Gavage-Rat   [sex: M]  1480.00  mg/kg
(Smyth et al., 1941)

Oral-Rat    1174.00  mg/kg
(BASF, 1956)

Oral-Rat    620.00  mg/kg
(Rowe & Wolf, 1982)

Oral-Rat   [sex: M,F]  2800.00  mg/kg
(Carpenter et al., 1956)

Gavage-Rat   [sex: M]  2680.00  mg/kg
(Myers & Homan, 1980)

Oral-Rat    470.00  mg/kg
(Wolf, 1959)

Gavage-Rat   [sex: M]  2800..00  mg/kg
(Weil & Wright, 1967)

Gavage-Rat   [sex: M]  1590.00  mg/kg
(Moreno, 1976l)

Gavage-Rat   [sex: M]  7500.00  mg/kg
(Moreno, 1976l)

Oral-Rat    1746.00  mg/kg
(Eastman Kodak Co., 1989

Gavage-Rat   [sex: M]  7292.00  mg/kg
(Eastman Kodak Co., 1984)

Oral-Mouse    1230.00  mg/kg
(Carpenter et al., 1956)

Oral-Mouse    1700.00  mg/kg
(Dow Chemical Company, 1982a

Oral-Mouse    1519.00  mg/kg
(Eastman Kodak Co., 1989)

Gavage-Mouse   [sex: M]  2406.00  mg/kg
(Eastman Kodak Co., 1984)

Oral-Rabbit   [sex: M]  370.00  mg/kg
(Carpenter et al., 1956)

Oral-Guineapig   [sex: M,F]  1200.00  mg/kg
(Carpenter et al., 1956)

Gavage-Guineapig   [sex: M,F]  1200.00  mg/kg
(Smyth et al., 1941)

Dermal Toxicity(LD50) :
  Skin-Guineapig  230.00  ul/kg
Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.

Skin-Rabbit  220.00  mg/kg
Dow Chemical Company Reports. Vol. MSD-46

Inhalation Toxicity(LC50) :
  Inhalation-Rat  450.00  ppm/4H
  Toxicology and Applied Pharmacology. Vol. 68, Pg. 405, 1983.

Inhalation-Mouse  700.00  ppm/7H
  Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 157, 1943.

 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for 2-butoxyethanol usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
IUCLID :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2810
 
WGK Germany :1
 
 
 
 2-butoxyethanol
(EINECS) number :203-905-0
RTECS :111-76-2
chemidplus :000111762
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :111-76-2
dtp/nci :60759
references :
 2-butoxyethanol
fl. number :02.242
NIST Chemistry WebBook :827263575
pubchem :151262
Cosmetics :
Cosmetic uses : masking agents
solvents
viscosity controlling agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
2-butoxy-1-ethanol
2-butoxyethan-1-ol
 butoxyethanol
 butyl cellosolve
monobutyl ether of ethylene glycol
monobutyl ethylene glycol ether
 ethylene glycol monobutyl ether
 glycol ether EB
 glycol monobutyl ether
soluble in :
 alcohol
 water, 1000000 mg/L @ 20C
(odor and/or flavor) used in :
 solvents
 viscosity controlling agents
natural occurrence in :
cheese mozzarella cheese - 0.02 mg/kg



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