551-08-6

Name N-BUTYLIDENEPHTHALIDE
CAS 551-08-6
EINECS(EC#) 208-991-3
Molecular Formula C12H12O2
MDL Number MFCD00047319
Molecular Weight 188.22
MOL File 551-08-6.mol

Chemical Properties

Melting point  82.5°C
Boiling point  139-142 °C/5 mmHg (lit.)
density  1.103 g/mL at 25 °C(lit.)
FEMA  3333
refractive index  n20/D 1.577(lit.)
Fp  >230 °F
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Oil
color  Colourless to Yellow
Odor at 10.00 % in dipropylene glycol. herbal lovage celery
biological source synthetic
Odor Type herbal
JECFA Number 1170
BRN  5145
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChIKey WMBOCUXXNSOQHM-FLIBITNWSA-N
SMILES CCC\C=C1/OC(=O)c2ccccc12
LogP 3.72
CAS DataBase Reference 551-08-6(CAS DataBase Reference)
EPA Substance Registry System 1(3H)-Isobenzofuranone, 3-butylidene- (551-08-6)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312a-P330-P501a
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
WGK Germany  2
RTECS  TI3692500
TSCA  Yes
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2
Safety Profile
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Information

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