2-methyl naphthalene 91-57-6

2-methyl naphthalene

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IUPAC name :

2-methylnaphthalene

InChI :

InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

InChIKey :

QIMMUPPBPVKWKM-UHFFFAOYAY

SMILES :

CC1=CC2=CC=CC=C2C=C1

cas number :	91-57-6
(EINECS) number :	202-078-3
beilstein number :	0906859
coe number :	11010
fl. number :	01.051
molar refractivity :	48.92 ± 0.3 cm3
parachor :	348.7 ± 4.0 cm3
index of refraction :	1.616 ± 0.02
surface tension :	38.7 ± 3.0 dyne/cm
density :	1.016 ± 0.06 g/cm3
polarizability :	19.39 ± 0.5 10-24cm3
XlogP :	3.70
molecular weight :	142.1971000 (IUPAC)
formula :	C11 H10
BioActivity Analysis :	70044
NMR Predictor :	Predict

export tariff code :

2902.90.2000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

2-Methylnaphthalene
97%, (beta)

organoleptics :

properties :

appearence :

white solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

33.00 to 35.00 °C. @ 760.00 mm Hg

boiling point :

239.00 to 242.00 °C. @ 760.00 mm Hg

vapor pressure :

0.05500 mm/Hg @ 25.00 °C.

flash point :

208.00 °F. TCC ( 97.78 °C. )

logP (o/w) :

3.86

safety :

most important hazard(s) :

Xn N - Harmful, Dangerous for the environment.

R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 42/43 - May cause sensitization by inhalation and skin contact.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 07 - Keep container tightly closed.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Oral Toxicity(LD50) :

Oral-Rat 1630.00 mg/kg
(Izmerov et al., 1982)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.0012 (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 2-methyl 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

NIOSH International Chemical Safety Cards :

NLM Hazardous Substances Data Bank :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 3077

WGK Germany :

2-methylnaphthalene

(EINECS) number :

202-078-3

RTECS :

91-57-6

chemidplus :

000091576

EPA Substance Registry Services :

91-57-6

dtp/nci :

3575

references :

2-methylnaphthalene

fl. number :

01.051

NIST Chemistry WebBook :

2398419765

pubchem :

150084

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
beta-	methyl naphthalene
2-	methylnaphthalene
soluble in :
	alcohol
	water, 24.6 mg/L @ 25C
insoluble in :
	water
natural occurrence in :
	capsicum - 0.08 mg/kg
data page	cassie absolute @ 0.02%
	papaya - up to 0.01 mg/kg
	passiflora - up to 0.01 mg/kg
	raspberry - up to 0.05 mg/kg
	tea - 0.10 mg/kg
	wine port wine - trace amount

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