2-butyl thiophene 1455-20-5

2-butyl thiophene

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IUPAC name :

2-butylthiophene

InChI :

InChI=1/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

InChIKey :

MNDZHERKKXUTOE-UHFFFAOYAE

SMILES :

CCCCC1=CC=CS1

(EINECS) number :	215-935-1
cas number :	1455-20-5
fl. number :	15.045
molar refractivity :	43.45 ± 0.3 cm3
parachor :	346.5 ± 4.0 cm3
index of refraction :	1.512 ± 0.02
surface tension :	32.8 ± 3.0 dyne/cm
density :	0.968 ± 0.06 g/cm3
polarizability :	17.22 ± 0.5 10-24cm3
xlogp :	2.70
molecular weight :	140.2458800
formula :	C8 H12 S

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

organoleptics :

odor strength :

high ,
recommend smelling in a 0.01 % solution or less

odor description :
at 0.01 % in propylene glycol.

fruity floral milky

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.95100 - 0.95700 @ 25.00 °C.

pounds per gallon - calc. :

7.913 to 7.963

refractive index :

1.50400 - 1.51000 @ 20.00 °C.

boiling point :

180.00 - 182.00 °C. @ 760.00 mm Hg

logp :

3.83

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.012 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

74 (μg/person/day)

Threshold of concern :

540 (μg/person/day)

flash point ( Deg. F. ) :

109.00 °F. TCC ( 42.78 °C. )

recommendation for 2-butyl thiophene 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.

Dairy products, excluding products of category 02.0 (01.0) :

0.20000

1.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

0.10000

0.50000

Edible ices, including sherbet and sorbet (03.0) :

0.20000

1.00000

Processed fruit (04.1) :

0.20000

1.00000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

0.20000

1.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

0.10000

0.50000

Bakery wares (07.0) :

0.20000

1.00000

Meat and meat products, including poultry and game (08.0) :

0.10000

0.20000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

0.10000

0.20000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

0.10000

0.50000

Foodstuffs intended for particular nutritional uses (13.0) :

0.20000

1.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

0.10000

0.50000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

Ready-to-eat savouries (15.0) :

0.40000

2.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

0.10000

0.50000

safety links :

(EINECS) number :

chemidplus :

epa-srs :

EPI System :

other :

references :

fl. number :

15.045

pubchem :

216055

NIST Chemistry WebBook :

3644769527

synonyms :
2-	butyl thiophene
2-N-	butyl thiophene
2-	butylthiophene
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	acetal 318
	acetoin
1-	acetyl cyclohexyl acetate
iso	amyl 3-(2-furan) propionate
	amyl angelate
iso	amyl angelate
alpha-	amyl cinnamaldehyde
para-	anisyl formate
	benzaldehyde / methyl anthranilate schiff's base
	benzyl acetate
	benzyl acetoacetate
	benzyl cinnamate
	benzyl formate
	berry hexanoate
iso	butyl anthranilate
	butyl butyryl lactate
iso	butyl furyl propionate
	butyl laevo-lactate
	butyl undecylenate
	chamomile isobutyrate
	chamomile propionate
	chamomile valerate
	cinnamyl formate
	citronellyl butyrate
	citronellyl hexanoate
	citronellyl isobutyrate
	citronellyl propionate
(E)-	citronellyl tiglate
	clary propyl acetate
(E)-beta-	damascone
(Z)-beta-	damascone
beta-	damascone
2-	decalinyl acetate
6-	decenoic acid
2,4-	difurfuryl furan
	dihydrojasmone
	dimethyl benzyl carbinyl acetate
S-(2,5-	dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-	dimethyl-3,7-nonadien-2-one
	ethyl 2-furoate
	ethyl levulinate
4-	ethyl octanoic acid
	ethyl palmitate
	ethyl vanillin isobutyrate
	geraniol
2-	heptanol
	heptyl isobutyrate
(Z)-3-	hexen-1-yl isovalerate
	hexoxyacetaldehyde dimethyl acetal
2-	hexyl-4-acetoxytetrahydrofuran
	ivy dioxolane
	massoia lactone
	menthadienyl formate
3-	mercaptohexyl acetate
	methoxymelonal
	methyl (Z)-3-hexenoate
	methyl 2-thiofuroate
	methyl 4-phenyl butyrate
	methyl alpha-ionone
	methyl benzyl acetate (mixed ortho-,meta-,para-)
	methyl cyclogeranate
	methyl decanoate
2-	methyl heptanoic acid
alpha-iso	methyl ionone (90% min.)
	methyl ionyl acetate
	methyl isobutyrate
4-	methyl octanoic acid
dextro,laevo-3-(	methyl thio) butanone
(E)-7-	methyl-3-octen-2-one
delta-	nonalactone
3-	nonanon-1-yl acetate
	phenethyl isobutyrate
	phenethyl isovalerate
1-	phenyl propyl butyrate
2-	phenyl propyl isobutyrate
4-	phenyl-3-buten-2-ol
2-	phenyl-4-pentenal
iso	propyl benzoate
	rhubarb pyran
	rose undecene
	terpinyl valerate
delta-	tetradecalactone
	tetrahydroionyl acetate
4-(para-	tolyl)-2-butanone
2-	tridecanone
	tropical ionone
	vanilla carboxylate
	vanillic acid
(odor and/or flavor) used in :
	beef
	coffee
natural occurrence in :
	beef
	coffee
	french fries
	soybean

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