1-methyl naphthalene
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IUPAC name :1-methylnaphthalene
InChI :InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
InChIKey :QPUYECUOLPXSFR-UHFFFAOYAD
SMILES :CC1=CC=CC2=CC=CC=C12
cas number :90-12-0
(EINECS) number :201-966-8
beilstein number :0506793
fema number :3193
coe number :11009
jecfa number :1335
fl. number :01.014
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
formula :C11 H10
BioActivity Analysis :70043
NMR Predictor :Predict
 
 
export tariff code :2902.90.00.30
fda reg :unspecified

Suppliers :
Penta :1-methylnaphthalene
Sigma-Aldrich-SAFC :1-Methylnaphthalene
≥90%, Kosher

organoleptics :
odor type :naphthyl
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
naphthyl chemical medicinal camphor

properties :
appearence :pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02000 to 1.02500 @ 25.00 °C.
pounds per gallon - calc. : 8.487 to 8.529
refractive index :1.61200 to 1.61800 @ 20.00 °C.
melting point : -22.00 °C. @ 760.00 mm Hg
boiling point : 241.00 to 245.00 °C. @ 760.00 mm Hg
vapor pressure :0.06700 mm/Hg @ 25.00 °C.
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 3.87

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    1840.00  mg/kg
(Izmerov et al., 1982)

Dermal Toxicity(LD50) :
  Skin-Rabbit  7500.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.77 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.06 (μg/capita/day)
 
recommendation for 1-methyl naphthalene usage levels up to :
 not for fragrance use.
recommendation for 1-methyl naphthalene usage levels up to :
  1.0000 ppm in the flavor.

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 :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 1-methylnaphthalene
(EINECS) number :201-966-8
RTECS :90-12-0
chemidplus :000090120
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :90-12-0
dtp/nci :3574

references :
 1-methylnaphthalene
fl. number :01.014
jecfa number :1335
NIST Chemistry WebBook :3116376037
pubchem :150020

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
alpha-methyl naphthalene
1-methylnaphthalene

soluble in :
 alcohol
 water, 25.8 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
isobornyl formate
 cardamom seed oil
3-methyl cyclohexanone
 thymol

(odor and/or flavor) used in :
 cheese
 grape
 meat
 smoke
 strawberry

natural occurrence in :
apple
capsicum peppers
data pagecassie absolute @ trace%
grape
milk products
pea
strawberry



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