naphthalene 91-20-3

naphthalene

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IUPAC name :

naphthalene

InChI :

InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

InChIKey :

UFWIBTONFRDIAS-UHFFFAOYAC

SMILES :

C1=CC=C2C=CC=CC2=C1

cas number :	91-20-3
(EINECS) number :	202-049-5
eu annex :	601-052-00-2
beilstein number :	1421310
coe number :	11014
fl. number :	01.053
molar refractivity :	44.09 ± 0.3 cm3
parachor :	311.1 ± 4.0 cm3
index of refraction :	1.632 ± 0.02
surface tension :	40.2 ± 3.0 dyne/cm
density :	1.037 ± 0.06 g/cm3
polarizability :	17.48 ± 0.5 10-24cm3
XlogP :	3.30
molecular weight :	128.1705200 (IUPAC)
formula :	C10 H8
BioActivity Analysis :	93895
NMR Predictor :	Predict

export tariff code :

2902.90.9000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

Naphthalene
99%

organoleptics :

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 10.00 % in benzyl benzoate.

pungent dry tarry

properties :

appearence :

white crystalline solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

80.00 to 82.00 °C. @ 760.00 mm Hg

boiling point :

217.00 to 219.00 °C. @ 760.00 mm Hg

boiling point :

124.00 to 125.00 °C. @ 50.00 mm Hg

vapor pressure :

0.08500 mm/Hg @ 25.00 °C.

vapor density :

4.4 ( Air = 1 )

flash point :

174.00 °F. TCC ( 78.89 °C. )

logP (o/w) :

3.45

safety :

most important hazard(s) :

Xn N - Harmful, Dangerous for the environment.

R 22 - Harmful if swallowed.
R 40 - Possible risks of irreversable effects.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 37/39 - Wear suitable gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Oral Toxicity(LD50) :

Oral-Rat    >2000.00  mg/kg
(Hazleton France, 1990a; Hazleton

Oral-Rat    >2000.00  mg/kg
(Vaughn & Keeler, 1976)

Oral-Rat   [sex: M,F]  2400.00  mg/kg
(Birch, 1978a)

Oral-Rat   [sex: M,F]  2800.00  mg/kg
(Birch, 1978b)

Oral-Rat   [sex: M,F]  1900.00  mg/kg
(Birch, 1978c)

Oral-Rat    2000.00  mg/kg
(Hazleton France, 1990c)

Gavage-Rat   [sex: F]  9430.00  mg/kg
(Carpenter et al., 1949)

Gavage-Mouse   [sex: M,F]  M:533.00 F:710.00  mg/kg
(Shopp et al., 1984)

Dermal Toxicity(LD50) :

Skin-Rabbit  >20.00  gm/kg

Subcutaneous-Mouse  969.00  mg/kg

Skin-Rat  >2500.00  mg/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.013 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

3700 (μg/person/day)

Threshold of concern :

90 (μg/person/day)

Structure Class :

III

recommendation for naphthalene 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

EPA-Iris :

IRIS

NIOSH International Chemical Safety Cards :

NIOSH Pocket Guide :

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

AIDS Citations :

Cancer Citations :

Toxicology Citations :

Carcinogenic Potency Database :

EPA GENetic TOXicology :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

UN 1334

naphthalene

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

91-20-3

dtp/nci :

37565

references :

naphthalene

fl. number :

01.053

NIST Chemistry WebBook :

91203

pubchem :

150071

Cosmetics :

Cosmetic uses :

not used anymore

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

Household Products :

synonyms :
	albocarbon
	camphor tar
	moth balls
	tar camphor
	white tar
soluble in :
	alcohol
	water, 31 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	cassie acacia farnesiana
natural occurrence in :
	beans - 0.003 mg/kg
	beer - 0.02 mg/kg
	bilberry - 0.005 mg/kg
	capsicum annum - up to 0.06 mg/kg
data page	cassie absolute @ 2.50%
data page	celery seed oil CO2 extract india @ 0.33%
data page	celery seed oil india @ 0.79%
	cheese - up to 0.035 mg/kg
	chicken - up to 0.0005 mg/kg
	clove stem
	cocoa - 0.05 mg/kg
	fish raw fish - 0.02 mg/kg
	grapefruit juice - 0.01 mg/kg
	kiwi fruit - 0.001 mg/kg
	mango - up to 0.001 mg/kg
	milk buffalo milk - 0.004 mg/kg
	milk skim milk powder - 0.0029 mg/kg
data page	nepeta betonicifolia c.a. meyer oil turkey @ 0.20%
	nut peanut - 0.005 mg/kg
data page	orange peel oil bitter china @ trace%
	orris root
	papaya - up to 0.01 mg/kg
	passiflora - up to 0.01 mg/kg
	pea - 0.005 mg/kg
	peach - trace amount
	plum - up to 0.005 mg/kg
	plumcot - up to 0.007 mg/kg
	raspberry - up to 0.005 mg/kg
data page	rue flower oil colombia @ 0.04%
	shrimp - 0.0008 mg/kg
	soybean - 0.008 mg/kg
	styrax
	tea - 0.10 mg/kg
	wine port wine - trace amount

information only - not sold by The Good Scents Company.

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