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104-46-1

104-46-1 structural image
Product Name: cis-Anethol
Formula: C10H12O
Synonyms: trans-1-Methoxy-4-(1-propenyl)benzene;trans-Anethole;4-Propenylanisole
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Anethole appears as white crystals or a liquid. Odor of anise oil and a sweet taste. (NTP, 1992)
Color/Form White crystals
Odor ANISE OIL ODOR
Taste SWEET TASTE
Boiling Point 454.1 °F at 760 mmHg (NTP, 1992)
Melting Point 70.4 °F (NTP, 1992)
Flash Point 195 °F (NTP, 1992)
Solubility Slightly soluble (NTP, 1992)
Density 0.9882 (NTP, 1992) - Less dense than water; will float
Vapor Pressure 0.05 [mmHg]
Optical Rotation SPECIFIC OPTICAL ROTATION: +0.08 DEG
Viscosity 2.45X10-3 Pa.s
Refractive Index 1.559-1.562
Kovats Retention Index 1295 1275 1263 1247 1256 1260 1258 1276 1252.4 1265 1259 1260 1270 1254 1254 1264 1265.2 1284 1254 1260 1262 1262 1270 1279 1284 1264 1264 1273 1281 1300 1263 1259 1255 1257 1257 1259 1253 1258 1253 1264 1271 1272 1261 1266 1260 1267 1285 1251 1252 1252 1273 1270.7 1254 1264 1249 1268 1270 1255 1270 1260 1279.8 1264 1258 1270 1284 1284
Other Experimental Properties MAX ABSORPTION (ISOOCTANE): 258 NM (LOG E= 4.25); MELTING POINT 21.35 °C; BP: 234.5 DEG @ 763 MM HG /TRANS-ISOMER/
Chemical Classes Other Classes -> Other Aromatic Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 148.20 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 148.088815002 g/mol
Monoisotopic Mass 148.088815002 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 121
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Anethole appears as white crystals or a liquid. Odor of anise oil and a sweet taste. (NTP, 1992)

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