4180-23-8
Product Name:
trans-Anethole
Formula:
C10H12O
Synonyms:
trans-1-Methoxy-4-(1-propenyl)benzene;trans-Anethole;1-(4-Methoxyphenyl)-1-propene, 4-Propenylanisole, 1-Methoxy-4-propenylbenzene;4-Propenylanisole;trans-Anethole
Inquiry
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  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
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)