dodecane 112-40-3

dodecane

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IUPAC name :

dodecane

InChI :

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey :

SNRUBQQJIBEYMU-UHFFFAOYAS

SMILES :

CCCCCCCCCCCC

cas number :	112-40-3
(EINECS) number :	203-967-9
beilstein number :	1697175
fl. number :	01.038
molar refractivity :	57.64 ± 0.3 cm3
parachor :	509.5 ± 4.0 cm3
index of refraction :	1.422 ± 0.02
surface tension :	25.5 ± 3.0 dyne/cm
density :	0.751 ± 0.06 g/cm3
polarizability :	22.85 ± 0.5 10-24cm3
XlogP :	5.90
molecular weight :	170.3348400 (IUPAC)
formula :	C12 H26
BioActivity Analysis :	74332
NMR Predictor :	Predict

export tariff code :

2901.10.5000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Fluka :

Dodecane
purum, ≥98.0% (GC)

organoleptics :

odor description :

alkane

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

water content :

<0.003%

Food Chemicals Codex Listed :

specific gravity :

0.74600 to 0.75200 @ 25.00 °C.

pounds per gallon - calc. :

6.207 to 6.257

refractive index :

1.41700 to 1.42300 @ 20.00 °C.

melting point :

-12.00 to -9.00 °C. @ 760.00 mm Hg

boiling point :

215.00 to 217.00 °C. @ 760.00 mm Hg

vapor pressure :

0.13500 mm/Hg @ 25.00 °C.

vapor density :

5.96 ( Air = 1 )

flash point :

160.00 °F. TCC ( 71.11 °C. )

logP (o/w) :

6.10

safety :

most important hazard(s) :

Xn - Harmful.

R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 36 - Wear suitable protective clothing.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Inhalation-Rat >142.00 ppm/8H

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 dodecane 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/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 :

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

dodecane

(EINECS) number :

203-967-9

RTECS :

JR2125000 for 112-40-3

chemidplus :

000112403

EPA/NOAA CAMEO :

hazardous materials

EPA Substance Registry Services :

112-40-3

dtp/nci :

8714

references :

dodecane

fl. number :

01.038

NIST Chemistry WebBook :

3001908940

pubchem :

151312

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
N-	dodecane
soluble in :
	alcohol
	water, 0.0037 mg/L @ 25C
insoluble in :
	water
natural occurrence in :
	beans - 0.10 mg/kg
data page	bergamot oil @ 0.000-0.006%
	butter - up to 3.5 mg/kg
data page	cabocla flower oil brazil @ 0.30%
data page	carnation absolute @ <0.01%
data page	carrot leaf oil @ 0.48%
data page	cassie absolute @ 0.15%
	chicken - 0.02 mg/kg
	cocoa - 0.10 mg/kg
data page	costmary oil @ 0.50%
data page	couroupita guianensis aubl. flower oil brazil @ 0.10%
data page	dialium guineense wild.fruit oil france @ 5.60%
	dill - 0.08 mg/kg
	egg - up to 0.004 mg/kg
data page	eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.50%
	fish raw fish - 0.0006 mg/kg
	guinea hen - 0.009 mg/kg
data page	jambu flower oil brazil @ 0.10%
	lamb - up to 0.10 mg/kg
data page	lecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 0.20%
	licorice - trace amount
	loquat - up to 0.01 mg/kg
	papaya - up to 0.01 mg/kg
	passiflora - up to 0.10 mg/kg
	pea - 0.01 mg/kg
	strawberry - up to 0.05 mg/kg
	tea - 0.10 mg/kg
data page	ulva rigida oil greece @ 1.30%
data page	witch hazel leaf oil @ 0.03%

information only - not sold by The Good Scents Company.

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