biphenyl
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IUPAC name :1,1'-biphenyl
InChI :InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
InChIKey :ZUOUZKKEUPVFJK-UHFFFAOYAV
SMILES :C1=CC=C(C=C1)C2=CC=CC=C2
cas number :92-52-4
(EINECS) number :202-163-5
eu annex :601-042-00-8
beilstein number :1634058
fema number :3129
coe number :10978
jecfa number :1332
fl. number :01.013
molar refractivity :50.84 ± 0.3 cm3
parachor :380.6 ± 4.0 cm3
index of refraction :1.571 ± 0.02
surface tension :36.6 ± 3.0 dyne/cm
density :0.996 ± 0.06 g/cm3
polarizability :20.15 ± 0.5 10-24cm3
XlogP : 4.00
XlogP3 : 4.00
molecular weight : 154.2078000 (IUPAC)
formula :C12 H10
BioActivity Analysis :78941
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :178.2010

Suppliers :
Nanjing :Biphenyl
Penta :biphenyl
Pfaltz & Bauer :Biphenyl
99%
Sigma-Aldrich-SAFC :Biphenyl
≥99%
Odor:  geranium; green
TCI AMERICA :Biphenyl
>99.5%(GC)

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
pungent rose green geranium

properties :
appearence :white to pale yellow crystalline powder
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99200 @ 25.00 °C.
refractive index :1.47500 @ 20.00 °C.
melting point : 69.00 to 71.00 °C. @ 760.00 mm Hg
boiling point : 254.00 to 256.00 °C. @ 760.00 mm Hg
boiling point : 160.00 to 161.00 °C. @ 50.00 mm Hg
vapor pressure :0.00800 mm/Hg @ 25.00 °C.
vapor density :5.31 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.98

safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 23 - Do not breath vapour.
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    2140.00  mg/kg
National Technical Information Service. Vol. OTS0546109

Oral-Rabbit    2400.00  mg/kg
Nagoya Shiritsu Daigaku Igakkai Zasshi. Journal of the Nagoya City University Medical Association. Vol. 28, Pg. 983, 197

Oral-Mouse    1900.00  mg/kg
Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 24, Pg. 268, 1983.

intravenous-Mouse    56.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5010.00  gm/kg
Monsanto Co. Toxicity Information.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  >200.00  mg/m3
  Monsanto Co. Toxicity Information.

 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.00085 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.70 (μg/capita/day)
Structure Class :III
 
recommendation for biphenyl usage levels up to :
 not for fragrance use.
recommendation for biphenyl usage levels up to :
  2.0000 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
IUCLID :view
EPA-Iris :IRIS
ClinicalTrials.gov :search
Daily Med :search
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
EPA GENetic TOXicology :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 3077
 
WGK Germany :2
 
 
 
 1,1'-biphenyl
(EINECS) number :202-163-5
RTECS :92-52-4
chemidplus :000092524
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :92-52-4
dtp/nci :14916

references :
 1,1'-biphenyl
fl. number :01.013
jecfa number :1332
NIST Chemistry WebBook :3086665995
pubchem :150129

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 bibenzene
1,1'-biphenyl
 diphenyl
1,1'-diphenyl
 lemonene
 phenyl benzene
 phenylbenzene
 xenene

soluble in :
 alcohol
 benzene
 carbon disulfide
 carbon tetrachloride
 ether
 methanol

insoluble in :
 water

(odor and/or flavor) blends with :
 benzophenone
laevo-citronellol
 citronellyl acetate
 citronellyl isobutyrate
(E)-citronellyl tiglate
 cyclohexyl propanol
gamma-damascone
(E,Z)-2,4-decadien-1-al
 dibutyl sulfide
 dihydrorose oxide
 dimethyl benzyl carbinol
 diphenyl methane
 diphenyl oxide
 ethyl formate
(E)-ethyl geranate
 floral pyran
 geranium absolute
 geranium cyclohexane
 geranium dihydropyran
 geranium nitrile
 geranium oil africa
 geranium oil egypt
 geranium pyran
 geranium thiazole
 geranyl formate
 geranyl hexanoate
 geranyl nonanoate
 geranyl tiglate
(Z)-3-hexen-1-yl phenyl acetate
 leather cyclohexanol
 methyl citronellate
 muguet carbinol
 musk acetate
 narcissus acetate
 peony acetonitrile
 phenethyl formate
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl pivalate
 phenethyl tiglate
 phenyl acetaldehyde digeranyl acetal
 phenyl propyl phenyl acetate
 rhodinyl propionate
(Z)-rose oxide
laevo-rose oxide
 rose pyran

(odor and/or flavor) used in :
 geranium
 green
 rose

natural occurrence in :
coal tar



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