phenol
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IUPAC name :phenol
InChI :InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey :ISWSIDIOOBJBQZ-UHFFFAOYAI
SMILES :C1=CC=C(C=C1)O
cas number :108-95-2
(EINECS) number :203-632-7
eu annex :604-001-00-2
fema number :3223
coe number :11811
jecfa number :690
fl. number :04.041
molar refractivity :28.13 ± 0.3 cm3
parachor :222.2 ± 4.0 cm3
index of refraction :1.553 ± 0.02
surface tension :40.9 ± 3.0 dyne/cm
density :1.071 ± 0.06 g/cm3
polarizability :11.15 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 94.1112400
formula :C6 H6 O
BioActivity Analysis :93335
NMR Predictor :Predict
 
 
export tariff code :2907.11.0000
fda reg :175.105
175.300
175.380
175.390
176.170
177.1210
177.1580
177.2410
177.2600

Suppliers :
Penta :phenol
crystals
Penta :phenol
90% liquid
Sigma-Aldrich-SAFC :Phenol
≥99%, Kosher

organoleptics :
odor type :phenolic
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in dipropylene glycol.  
phenolic plastic rubber

properties :
appearence :white crystals
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.07100 @ 25.00 °C.
melting point : 38.00 to 41.00 °C. @ 760.00 mm Hg
boiling point : 181.00 to 182.00 °C. @ 760.00 mm Hg
boiling point : 104.00 to 105.00 °C. @ 50.00 mm Hg
vapor pressure :0.35000 mm/Hg @ 25.00 °C.
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 1.46

safety :
most important hazard(s) :T - Toxic.
  R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
R 48 - Danger of serious damage to health by prolonged exposure.
R 68 - Possible risk of irreversible effects.
S 01/02 - Keep locked up and out of the reach of children.
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 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) :
  Oral-Rat    317.00  mg/kg

Oral-Mouse    270.00  mg/kg

Intraperitoneal-Rat    127.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  630.00  mg/kg

Subcutaneous-Mouse  344.00  mg/kg

Skin-Rat  669.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for phenol usage levels up to :
 not for fragrance use.
recommendation for phenol usage levels up to :
 not for flavor use.

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
EPA-Iris :IRIS
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
SCCNFP :opinion
WISER :UN 1671
 
WGK Germany :2
 
 
 
 phenol
(EINECS) number :203-632-7
RTECS :108-95-2
chemidplus :000108952
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :108-95-2
dtp/nci :36808

references :
 phenol
fl. number :04.041
jecfa number :690
NIST Chemistry WebBook :658737695
pubchem :151081

Cosmetics :
Cosmetic uses : not used anymore

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
Household Products : Search
synonyms :
 carbolic acid
 hydroxybenzene
 phenol alcohol

soluble in :
 alcohol
 water, 82800 mg/L @ 25C

(odor and/or flavor) used in :
 antimicrobial agents
 denaturants
 deodorants

natural occurrence in :
data pagechampaca concrete @ trace%
data pageguava fruit headspace reunion @ 1.60%
data pagelavender oil spike spain @ 0.017%
data pagemangrove bark red oil cuba @ trace%
data pagemikan peel oil @ trace%



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