tetradecane 629-59-4

tetradecane

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IUPAC name :

tetradecane

InChI :

InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey :

BGHCVCJVXZWKCC-UHFFFAOYAQ

SMILES :

CCCCCCCCCCCCCC

cas number :	629-59-4
(EINECS) number :	211-096-0
beilstein number :	1733859
fl. number :	01.057
molar refractivity :	66.90 ± 0.3 cm3
parachor :	589.1 ± 4.0 cm3
index of refraction :	1.428 ± 0.02
surface tension :	26.5 ± 3.0 dyne/cm
density :	0.764 ± 0.06 g/cm3
polarizability :	26.52 ± 0.5 10-24cm3
XlogP :	6.80
molecular weight :	198.3880000 (IUPAC)
formula :	C14 H30
NMR Predictor :	Predict

export tariff code :

2901.10.5000

fda reg :

unspecified

Suppliers :

Penta :

tetradecane

Vigon :

Tetradecane
99%
Odor: MILD WAX

organoleptics :

odor strength :

low

odor description :
at 100.00 %.

mild waxy

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.75900 to 0.76500 @ 25.00 °C.

pounds per gallon - calc. :

6.316 to 6.366

refractive index :

1.42200 to 1.42800 @ 20.00 °C.

melting point :

5.00 to 6.00 °C. @ 760.00 mm Hg

boiling point :

251.00 to 253.00 °C. @ 760.00 mm Hg

vapor pressure :

0.01160 mm/Hg @ 25.00 °C.

vapor density :

6.83 ( Air = 1 )

flash point :

211.00 °F. TCC ( 99.44 °C. )

logP (o/w) :

8.19

shelf life :

8.00 month(s) or longer if stored properly.

storage :

refrigerate in tightly sealed containers. store under nitrogen.

safety :

most important hazard(s) :

Xn - Harmful.

R 65 - Harmful: may cause lung damage if swallowed.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 23 - Do not breath spray.
S 24 - Avoid contact with skin.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

Oral Toxicity(LD50) :

Oral-Rat >5000.00 mg/kg
(Enichem Augusta Ind., 1987)

Oral-Rat >5000.00 mg/kg
(PETRESA, 19??b)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.012 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

3700 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

Structure Class :

recommendation for tetradecane usage levels up to :

2.0000 % in the fragrance concentrate.

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) :

7.00000

35.00000

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

5.00000

25.00000

Edible ices, including sherbet and sorbet (03.0) :

10.00000

50.00000

Processed fruit (04.1) :

7.00000

35.00000

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

Confectionery (05.0) :

10.00000

50.00000

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

5.00000

25.00000

Bakery wares (07.0) :

10.00000

50.00000

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

2.00000

10.00000

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

2.00000

10.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

5.00000

25.00000

Foodstuffs intended for particular nutritional uses (13.0) :

10.00000

50.00000

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

5.00000

25.00000

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

Ready-to-eat savouries (15.0) :

20.00000

100.00000

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

5.00000

25.00000

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

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

tetradecane

(EINECS) number :

211-096-0

RTECS :

XB8000000 for 629-59-4

chemidplus :

000629594

EPA Substance Registry Services :

629-59-4

dtp/nci :

72440

references :

tetradecane

fl. number :

01.057

NIST Chemistry WebBook :

1989177928

pubchem :

155710

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
N-	tetradecane
soluble in :
	alcohol
	water, 0.002 mg/L @ 25C
insoluble in :
	water
natural occurrence in :
	aubergine - trace amount
data page	boronia absolute @ 0.02%
	butter - up to 1.90 mg/kg
data page	cabocla flower oil brazil @ 0.30%
data page	carnation absolute @ 0.04%
data page	cassie absolute @ 0.22%
	cheese - up to 0.15 mg/kg
	chicken - 0.0005 mg/kg
	cocoa - 0.10 mg/kg
	coconut - trace amount
data page	dialium guineense wild.fruit oil france @ 4.60%
	dill - up to 0.30 mg/kg
	egg - up to 0.003 mg/kg
data page	eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.20%
	fish raw fish - 0.0008 mg/kg
	guinea hen - 0.021 mg/kg
data page	jambu flower oil brazil @ 0.10%
	lamb - trace amount
data page	lavender oil france @ trace%
data page	lecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 0.10%
	licorice - 0.30 mg/kg
	mango - up to 0.30 mg/kg
	milk - 0.001 mg/kg
data page	osmanthus absolute @ trace%
	papaya - up to 0.01 mg/kg
	passiflora - 0.088 mg/kg
	strawberry - up to 0.05 mg/kg
data page	tagete oil CO2 extract @ 0.16%
	tea - 0.10 mg/kg
	thymus - trace amount
data page	ulva rigida oil greece @ 1.20%
data page	witch hazel leaf oil @ 0.23%
data page	ylang ylang oil @ 5.51%
data page	ylang ylang oil CO2 extract @ 0.53%

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