beta-naphthyl methyl ketone
 
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IUPAC name :1-naphthalen-2-ylethanone
InChI :InChI=1/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKey :XSAYZAUNJMRRIR-UHFFFAOYAQ
SMILES :CC(=O)C1=CC2=CC=CC=C2C=C1
(EINECS) number :202-216-2
cas number :93-08-3
beilstein number :0774965
fema number :2723
coe number :147
jecfa number :811
fl. number :07.013
molar refractivity :54.12 ± 0.3 cm3
parachor :396.2 ± 4.0 cm3
index of refraction :1.615 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.097 ± 0.06 g/cm3
polarizability :21.45 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 170.2072000
formula :C12 H10 O
BioActivity Analysis :73490
 
 
export tariff code :2914.30.10
fda reg :unspecified
 

Suppliers :
Givaudan :Oranger Crystals
Sigma-Aldrich-SAFC :Methyl beta-naphthyl ketone
≥99%, FCC, Kosher
Symrise :Methyl naphthyl ketone beta cryst.

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet neroli orange blossom
substantivity :400  Hour(s)

properties :
appearence :white crystalline powder
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 53.00 to 55.00 °C. @ 760.00 mm Hg
boiling point : 300.00 to 301.00 °C. @ 760.00 mm Hg
congealing point :53.00
logp : 2.85

safety :
most important hazard(s) : Xn N - Harmful, Dangerous for the environment.
Oral Toxicity(LD50) : Oral-Mouse    3100.00  mg/kg    (Moreno, 1982k)
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :48.00 (μg/capita/day)
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
IFRA critical Effect :Phototoxicity
limits in the finished product for - "leave on the skin contact" :
  0.2000 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  2.0000 % Recommendation.
limits in the finished product for - "no skin contact" :
  4.0000 % Recommendation.
recommendation for beta-naphthyl methyl ketone usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for beta-naphthyl methyl ketone usage levels up to :
  700.0000 ppm in the flavor.

safety links :
 
 
(EINECS) number :202-216-2
RTECS :AL2988000 for 93-08-3
chemidplus :000093083
EPA Substance Registry Services :93-08-3
NLM Chemical Carcinogenesis Research Information System :93-08-3
NLM Developmental and Reproductive Toxicity :93-08-3
NLM Env. Mutagen Info. Center :93-08-3
NLM GENetic TOXicology :93-08-3
dtp/nci :7658
EPI System :view
IFRA :IFRA - ( Found under : Methyl beta-naphthyl ketone )

other :

references :
jecfa number :811
fl. number :07.013
pubchem :150158
NIST Chemistry WebBook :4044168687
synonyms :
beta-acetonaphthalene
 acetonaphthone
2'-acetonaphthone
2-acetyl naphthalene
beta-acetyl naphthalene
 cetone d
 methyl beta-naphthyl ketone
beta-methyl naphthyl ketone
1-(2-naphthalenyl) ethanone
2-naphthyl methyl ketone
beta-naphthyl methyl ketone
 oranger crystals

soluble in :
 alcohol
 fixed oils
 water, 272 mg/L @ 25C

insoluble in :
 glycerin
 water

stability :
 non-discoloring in most media

(odor and/or flavor) blends with :
 acetyl tetralin
 amber carbinol
 ambroxan
isoamyl acetate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bigarade oxide
 blood orange oil
 bois de rose oil
isobutyl cinnamate
isobutyl salicylate
 cassia bark oil
 cassis bud oil
 cedarwood oils
 champaca absolute
 cinnamyl alcohol
 citral / methyl anthranilate schiff's base
 citronellol
 citronellyl anthranilate
 clary sage oil
 clean nitrile
 clove bud oil
 clover nitrile
 coriander seed oil
 coumarin
para-cresyl caprylate
 cyclamen aldehyde
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclohexyl anthranilate
 cyclohexyl ethyl alcohol
alpha-damascone
beta-damascone
gamma-decalactone
 decanal / methyl anthranilate schiff's base
 decanal dimethyl acetal
 decanol
(Z)-4-decen-1-al
 decyl acetate
 decyl anthranilate
 decyl formate
 dihydrojasmone
1,3-dimethoxybenzene
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl anthranilate
 ethyl cinnamate
 ethyl ethyl anthranilate
 ethyl laurate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 farnesene
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 geranyl anthranilate
 geranyl formate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 hydroxycitronellal / methyl anthranilate schiff's base
 indole
 ionones
 labdanum ethanone
 lavender absolute
 leerall
 leerall / methyl anthranilate schiff's base
 lilyall
 lilyall / methyl anthranilate schiff's base
 lime oil distilled terpeneless
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 linalyl anthranilate
 linalyl cinnamate
 linalyl phenyl acetate
 mandarin oil
 methyl acetophenone
 methyl anthranilate
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
alpha-methyl naphthyl ketone
2-methyl undecanal
 muguet carboxaldehyde
 musks
beta-naphthyl anthranilate
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
2-naphthyl phenyl ketone
 nerol
 nerol oxide
 neroli oil
 nerolidol
 nerolidyl acetate
 nerolin fragarol
 nonanal
 nonanal / methyl anthranilate schiff's base
 nonanol
 oakmoss absolute
 ocean propanal
 ocean propanal / methyl anthranilate schiff's base
 opoponax oil
 orange oil
 orange oil bitter
 orangeflower absolute
 orris pyridine
 patchouli ethanone
 peony alcohol
 petitgrain bigarade oil
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl anthranilate
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
(E)-2-phenyl-1(2)-propene-1-yl acetate
 propyl anthranilate
isopropyl anthranilate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry furanone
 strawberry glycidate 1
alpha-terpineol
alpha-terpinyl acetate
alpha-terpinyl anthranilate
alpha-terpinyl methyl ether
 tetrahydrolinalool
 tetrahydromyrcenol
 tobacco dodecane
 tonka bean absolute
 tonka ketone
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 violet leaf absolute
 violet methyl carbonate
 wallflower absolute
 watermelon ketone
 woody acetate
 ylang ylang oil II
 ylang ylang oil III

(odor and/or flavor) used in :
 acacia
 ambrene
 ambrosia
 balsam
 broom genet genista
 cassie acacia farnesiana
 cinq fleurs forvil
 cologne
 fixer
 jasmin
 linden blossom limeflower tilleul
 my sin
 narcissus narcisse
 neroli
 orange blossom fleur d'oranger
 strawberry
 wistaria wisteria glycine
 woody

natural occurrence in :
not found in nature



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