psoralen
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IUPAC name :furo[3,2-g]chromen-7-one
InChI :InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey :ZCCUUQDIBDJBTK-UHFFFAOYAE
SMILES :C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
cas number :66-97-7
(EINECS) number :200-639-7
beilstein number :0152784
molar refractivity :49.90 ± 0.3 cm3
parachor :365.7 ± 6.0 cm3
index of refraction :1.667 ± 0.02
surface tension :55.5 ± 3.0 dyne/cm
density :1.389 ± 0.06 g/cm3
polarizability :19.78 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 186.1635400 (IUPAC)
formula :C11 H6 O3
BioActivity Analysis :11113270
NMR Predictor :Predict
 
 
export tariff code :2932.90.4100
fda reg :unspecified

Suppliers :
Delta Bio :Psoralen

organoleptics :

properties :
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 163.00 to 164.00 °C. @ 760.00 mm Hg
boiling point : 362.00 to 363.00 °C. @ 760.00 mm Hg
vapor pressure :0.00002 mm/Hg @ 25.00 °C.
flash point : 344.00  °F.  TCC  ( 173.33 °C. )
logP (o/w) : 1.67

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 22 - Do not breath dust.
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for psoralen fragrance usage levels up to :
 not for fragrance use.
recommendation for psoralen flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
ClinicalTrials.gov :search
Daily Med :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
 
WGK Germany :3
 
 
 
 
furo[3,2-g]chromen-7-one
(EINECS) number :200-639-7
RTECS :LV0944000 for cas# 66-97-7
chemidplus :000066977
EPA Substance Registry Services :66-97-7

references :
 
furo[3,2-g]chromen-7-one
NIST Chemistry WebBook :2720901944
pubchem :149107

Cosmetics :
Cosmetic uses : not used anymore

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 ficusin
 furo(2',3',7,6)coumarin
 furo(3,2-g)-coumarin
7H-furo(3,2-g)(1)benzopyran-7-one
 furo(4',5',6,7)coumarin
 furo[3,2-g]chromen-7-one
 furocoumarin
6-hydroxy-5-benzofuranacrylic acid beta-lactone
 psoralen
 psoralene

soluble in :
 alcohol
 water, 1930 mg/L @ 25C

insoluble in :
 water

natural occurrence in :
 celery S
 fig  
 parsley  
data pageparsley leaf oil @ 1.24% S
 psoralea corylifolia S
data pagerue flower oil colombia @ 0.24% S



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