2-pentyl thiophene 4861-58-9

2-pentyl thiophene

Suppliers organoleptics properties safety references FEMA Index Home Page

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

IUPAC name :

2-pentylthiophene

InChI :

InChI=1/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

InChIKey :

NOYVOSGVFSEKPR-UHFFFAOYAN

SMILES :

CCCCCC1=CC=CS1

cas number :	4861-58-9
(EINECS) number :	225-465-9
fema number :	4387
coe number :	11634
fl. number :	15.096
molar refractivity :	48.08 ± 0.3 cm3
parachor :	386.3 ± 4.0 cm3
index of refraction :	1.508 ± 0.02
surface tension :	32.9 ± 3.0 dyne/cm
density :	0.956 ± 0.06 g/cm3
polarizability :	19.06 ± 0.5 10-24cm3
XlogP :	3.30
molecular weight :	154.2724600 (IUPAC)
formula :	C9 H14 S
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Endeavour :

2-Pentylthiophene
98%

Frutarom :

2-PENTYLTHIOPHENE
≥98.00%, NI, Kosher
Odor: sweet fruit

Penta :

2-pentyl thiophene

Tokyo Chemical Industry :

2-Pentylthiophene
>98.0%(GC)

Treatt :

2-Pentylthiophene

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

blood fried

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.94000 to 0.94600 @ 25.00 °C.

pounds per gallon - calc. :

7.822 to 7.872

refractive index :

1.49500 to 1.50100 @ 20.00 °C.

boiling point :

96.00 °C. @ 30.00 mm Hg

boiling point :

201.00 to 203.00 °C. @ 760.00 mm Hg

vapor density :

5.3 ( Air = 1 )

flash point :

170.00 °F. TCC ( 76.67 °C. )

logP (o/w) :

4.48

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.24 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

160 (μg/person/day)

Threshold of concern :

540 (μg/person/day)

Structure Class :

recommendation for 2-pentyl thiophene usage levels up to :

not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.

publication number : 23

average usual ppm

average maximum ppm

baked goods :

0.20000

1.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

0.01000

1.00000

chewing gum :

condiments / relishes :

0.10000

1.00000

confectionery froastings :

egg products :

0.30000

1.00000

fats / oils :

0.10000

1.00000

fish products :

0.20000

1.00000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.20000

1.00000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.10000

1.00000

milk products :

nut products :

other grains :

poultry :

0.10000

1.00000

processed fruits :

processed vegetables :

0.01000

1.00000

reconstituted vegetables :

0.01000

1.00000

seasonings / flavors :

1.00000

50.00000

snack foods :

0.10000

1.00000

soft candy :

soups :

0.20000

1.00000

sugar substitutes :

sweet sauces :

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/kg

maximum usage mg/kg

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

0.40000

2.00000

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

0.20000

1.00000

Edible ices, including sherbet and sorbet (03.0) :

0.40000

2.00000

Processed fruit (04.1) :

0.30000

1.50000

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

Confectionery (05.0) :

0.40000

2.00000

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

0.20000

1.00000

Bakery wares (07.0) :

0.40000

2.00000

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

0.10000

0.40000

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

0.10000

0.40000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

0.20000

1.00000

Foodstuffs intended for particular nutritional uses (13.0) :

0.40000

2.00000

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

0.20000

1.00000

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

0.40000

2.00000

Ready-to-eat savouries (15.0) :

1.00000

5.00000

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

0.20000

1.00000

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

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-pentylthiophene

(EINECS) number :

225-465-9

chemidplus :

004861589

EPA Substance Registry Services :

4861-58-9

references :

2-pentylthiophene

fl. number :

15.096

NIST Chemistry WebBook :

3652995290

pubchem :

163776

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
1-	methyl butyl thiophene
sec-	pentyl thiophene
2-	pentylthiophene
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	bacon dithiazine
	benzothiazole
1,2-	butane dithiol
1,3-	butane dithiol
2,3-	butane dithiol
2-(2-	butyl)-4,5-dimethyl-3-thiazoline
	butyraldehyde
	coffee difuran
	cyclopropyl (E,Z)-2,6-nonadienamide
(E,E)-2,4-	decadien-1-al
2,5-	diethyl thiazole
3,5-	diethyl-2-methyl pyrazine
2,5-	diethyl-3-methyl pyrazine
	difurfuryl sulfide
2,5-	dihydroxy-1,4-dithiane
N-(2,4-	dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-	dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-	dimethyl furan
	dimethyl tetrasulfide
2,6-	dimethyl thiophenol
	dimethyl trisulfide
4,5-	dimethyl-2-ethyl-3-thiazoline
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-	dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-	dimethyl-3-furan thiol
bis(2,5-	dimethyl-3-furyl) disulfide
(Z+E)-2,5-	dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-	dimethyl-3-thioacetoxytetrahydrofuran
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
2-	ethoxythiazole
	ethyl (E,Z)-2,6-nonadienamide
S-	ethyl 2-acetyl aminoethane thioate
	ethyl 3-mercaptopropionate
	ethyl 4-(acetyl thio) butyrate
S-	ethyl thioacetate
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	fish thiol
	furfuryl isopropyl sulfide
4-	furfuryl thio-2-pentanone
	hazelnut pyrazine
N-(	heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-	hexane dithiol
	hexyl mercaptan
	massoia bark oil
	massoia lactone
	meaty dithiane
4-	mercapto-2-pentanone 1% in acetoin
(R,S)-2-	mercapto-3-butanol
2-	mercapto-3-pentanone
2-	mercaptomethyl pyrazine
2-	mercaptopropionic acid
N1-(2-	methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-	methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
	methyl 2-methyl-3-furyl disulfide
2-	methyl 3-(methyl thio) furan 10% in triacetin
4-	methyl 4-mercaptopentan-2-one 1% in pg
	methyl benzoxole
	methyl dihydrofuran thiol
4-	methyl nonanoic acid
2-	methyl pyrazine
2-	methyl thiazolidine
2-(	methyl thio) ethanol
3-(	methyl thio) propanol
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
3-	methyl-2-butane thiol
2-	methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-furyl tetrasulfide
bis(2-	methyl-3-furyl) disulfide
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
4-((2-	methyl-3-furyl)thio)-5-nonanone
2-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
1,8-	octane dithiol
	peanut dithiazine
4-	penten-1-yl acetate
1-	phenethyl mercaptan
1,3-	propane dithiol
2-	propionyl-2-thiazoline
	propyl 2-mercaptopropionate
	propyl 2-methyl-3-furyl disulfide
iso	propyl disulfide
iso	propyl mercaptan
	pyrazinyl ethane thiol
2-	pyridinyl methane thiol
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
	roasted butanol
	rum ether
	sulfuryl acetate
3-	tetrahydrothiophenone
	thialdine
	thiazole
3-	thienyl mercaptan
1-(2-	thienyl) butanone
ortho-	thiocresol
	thioguaiacol
2,4,6-	trithiaheptane 10% in triacetin
	tyramine
(odor and/or flavor) used in :
	beef
	cheese
	chicken
	pork
natural occurrence in :
	beef
	chicken roasted chicken - 0.001 mg/kg

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home