hexadecanal 629-80-1

hexadecanal

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IUPAC name :

hexadecanal

InChI :

InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3

InChIKey :

NIOYUNMRJMEDGI-UHFFFAOYAM

SMILES :

CCCCCCCCCCCCCCCC=O

(EINECS) number :	211-111-0
cas number :	629-80-1
coe number :	10336
fl. number :	05.152
molar refractivity :	76.36 ± 0.3 cm3
parachor :	677.5 ± 4.0 cm3
index of refraction :	1.439 ± 0.02
surface tension :	29.8 ± 3.0 dyne/cm
density :	0.829 ± 0.06 g/cm3
polarizability :	30.27 ± 0.5 10-24cm3
xlogp :	6.50
molecular weight :	240.4246800
formula :	C16 H32 O

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor description :

cardboard

properties :

appearence :

white solid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

melting point :

33.00 - 36.00 °C. @ 760.00 mm Hg

boiling point :

297.00 - 298.00 °C. @ 760.00 mm Hg

logp :

6.71

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

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

2.40 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

1500 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

flash point ( Deg. F. ) :

282.00 °F. TCC ( 138.89 °C. )

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) :

3.00000

15.00000

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

2.00000

10.00000

Edible ices, including sherbet and sorbet (03.0) :

3.00000

15.00000

Processed fruit (04.1) :

2.00000

10.00000

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

Confectionery (05.0) :

4.00000

20.00000

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

2.00000

10.00000

Bakery wares (07.0) :

4.00000

20.00000

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

1.00000

5.00000

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

1.00000

5.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

2.00000

10.00000

Foodstuffs intended for particular nutritional uses (13.0) :

3.00000

15.00000

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

2.00000

10.00000

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

4.00000

20.00000

Ready-to-eat savouries (15.0) :

5.00000

25.00000

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

2.00000

10.00000

safety links :

(EINECS) number :

211-111-0

chemidplus :

000629801

epa-srs :

629-80-1

other :

references :

fl. number :

05.152

pubchem :

155720

NIST Chemistry WebBook :

3264343842

synonyms :
	hexadecanal
	palmitaldehyde
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	coriander leaf oil @ 0.05-0.10%
data page	lime oil expressed florida @ 0.1%
	milk
data page	witch hazel leaf oil @ 0.15%

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