dibenzyl ether
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IUPAC name :phenylmethoxymethylbenzene
InChI :InChI=1/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey :MHDVGSVTJDSBDK-UHFFFAOYAM
SMILES :C1=CC=C(C=C1)COCC2=CC=CC=C2
cas number :103-50-4
(EINECS) number :203-118-2
beilstein number :1911156
fema number :2371
coe number :11856
jecfa number :1256
fl. number :03.004
molar refractivity :62.03 ± 0.3 cm3
parachor :475.6 ± 4.0 cm3
index of refraction :1.569 ± 0.02
surface tension :39.8 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :24.59 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 198.2603600 (IUPAC)
formula :C14 H14 O
BioActivity Analysis :17389489
NMR Predictor :Predict
 
 
export tariff code :2909.30.0000
fda reg :172.515
Suppliers :
Berje :Dibenzyl Ether
John D. Walsh :Dibenzyl Ether
Moellhausen :dibenzyl oxide
artifical kosher
Odor:  aromatic, floral, somewhat fruity; rose-like connotations.
Flavor:  fruity, spicy, nut-like.
Penta :benzyl ether
SAFC Global® :Benzyl ether
≥98%, FCC, Kosher
Odor:  almond; chocolate; spicy; fruity; sweet.
Vigon :Dibenzyl Ether
organoleptics :
odor type :earthy
odor strength :medium
odor description:
at 100.00 %.  		sweet fruity cherry earthy mushroom rose plastic
Luebke, William tgsc, (1987)
odor sample from :Harrmann & Reimer Corporation
substantivity :400  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.03900 to 1.04400 @ 25.00 °C.
pounds per gallon - calc. : 8.646 to 8.687
refractive index :1.56100 to 1.56200 @ 20.00 °C.
melting point : 1.50 to 3.50 °C. @ 760.00 mm Hg
boiling point : 297.00 to 298.00 °C. @ 760.00 mm Hg
boiling point : 170.00 °C. @ 16.00 mm Hg
vapor pressure :0.00103 mm/Hg @ 25.00 °C.
vapor density :6.8 ( Air = 1 )
flash point : 275.00  °F.  TCC  ( 135.00 °C. )
logP (o/w) : 3.31
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    2500.00  mg/kg

Oral-Mouse    4300.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :241.00 (μg/capita/day)
 
recommendation for dibenzyl ether fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for dibenzyl ether flavor usage levels up to :
  160.0000 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
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
phenylmethoxymethylbenzene
(EINECS) number :203-118-2
RTECS :DQ6125000 for cas# 103-50-4
chemidplus :000103504
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :103-50-4
dtp/nci :5931
references :
 
phenylmethoxymethylbenzene
fl. number :03.004
jecfa number :1256
NIST Chemistry WebBook :1071801001
pubchem :150739
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzyl ether
 benzyl oxide
 dibenzyl oxide
1,1'-oxybis(methylene) benzene
1,1'-(oxybis(methylene)) bisbenzene
 phenylmethoxymethylbenzene
soluble in :
 alcohol
 water, 40 mg/L @ 35C
insoluble in :
 water
stability :
 cream
 lipstick
 non-discoloring in most media
 shampoo
 soap
potential blenders :    note
 allyl 2-ethyl butyrateFL
 allyl benzoateFR
 allyl isovalerateFL/FR
 almond oil bitterFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl butyrateFL/FR
para-anisyl acetateFL/FR
para-anisyl propionateFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde glycrol acetalFL/FR
 benzyl cinnamateFL/FR
(E)-benzyl tiglateFL/FR
 bread thiopheneFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl propionateFL/FR
 butyrophenoneFL/FR
 cherry oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 cinnamyl isovalerateFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl formateFL/FR
(E)-2-decen-1-alFL/FR
1-decen-3-olFL/FR
2,4-dimethyl benzaldehydeFL/FR
 dimethyl sulfoxideFL
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 ethyl 2-phenyl-3-furoateFL/FR
 ethyl benzoyl acetateFL
 ethyl methyl-para-tolyl glycidateFL/FR
 heptanal cyclic acetal with glycerolFL/FR
 heptanal glyceryl acetalFL/FR
 heptyl isobutyrateFL/FR
 herbal pyranFR
(Z)-3-hexen-1-yl tiglateFL/FR
2'-hydroxyacetophenoneFL/FR
 leaf acetalFL/FR
 melon acetalFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 10-undecenalFL/FR
 methyl 2-furoateFL/FR
 methyl cinnamateFL/FR
 methyl furfuracrylateFL
 methyl laurateFL/FR
tris(methyl thio) methaneFL
1-(methyl thio)-2-butanoneFL
 methyl thiol isovalerateFL
 methyl undecylenateFL/FR
3-methyl-2-buten-1-alFL/FR
2-naphthyl mercaptanFL
(Z)-3-nonen-1-olFL/FR
1-nonen-3-olFL/FR
 nonyl octanoateFL/FR
 nutty cyclohexenoneFL/FR
1,8-octane dithiolFL
3-octanolFL/FR
3-octanoneFL/FR
3-octen-2-olFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-oneFL/FR
1-octen-3-yl butyrateFL/FR
2-octen-4-oneFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 octyl propionateFL/FR
(E)-2-penten-1-ol 
2-pentyl-1-buten-3-oneFL
laevo-perillaldehydeFL/FR
 phenethyl butyl etherFR
 phenethyl furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 powdery ketoneFL
 raspberry ketone methyl etherFL/FR
 tolualdehydes (mixed o/m/p)FL/FR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
potential uses :
 almond
 balsam
 earth humus
 geranium
 herbal
 lavender
 mushroom
 narcissus narcisse
 plastic
 rose
 woody
natural occurrence in :    note
 not found in nature  

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