trans-Anethole

ALDRICH/117870 - 99%

Synonym: 4-Propenylanisole; trans-1-Methoxy-4-(1-propenyl)benzene

CAS Number: 4180-23-8
Empirical Formula (Hill Notation): C₁₀H₁₂O
Molecular Weight: 148.20
EC Number: 224-052-0
MDL Number: MFCD00009284
Linear Formula: CH₃CH=CHC₆H₄OCH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-117870-25ML	25 mL	$72.10 1/EAAdd To Favorites	Add To Favorites
45-117870-100ML	100 mL	$169.00 1/EAAdd To Favorites	Add To Favorites

assay	99%
bp	234-237 °C (lit.)
density	0.988 g/mL at 25 °C (lit.)
form	solid or liquid
InChI	1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
InChI key	RUVINXPYWBROJD-ONEGZZNKSA-N
mp	20-21 °C (lit.)
Quality Level	200
refractive index	n20/D 1.561 (lit.)
SMILES string	COc1ccc(C=CC)cc1
solubility	acetone: soluble
	alcohol: freely soluble
	benzene: soluble
	carbon disulfide: soluble
	chloroform: miscible
	diethyl ether: miscible
	ethyl acetate: soluble
	H₂O: very slightly soluble
	petroleum ether: soluble

Application:	trans-Anethole was used as carbon and energy supplement in the culture media of Pseudomonas putida strain, JYR-1 .
Biochem/physiol Actions:	Major metabolite of trans-anethole in human volunteers was 4-methoxyhippuric acid. It can be metabolized by a Arthrobacter strain (TA13).
Biochem/physiol Actions:	Naturally occurring phenylpropene derivative that is estrogenic at lower concentrations and cytotoxic at higher concentrations to cancer cell lines. The cytotoxicity is related to the metabolism of trans-anethole to 4-hydroxy-1-propenylbenzene.
General description:	trans-Anethole is the chief component of several essential oils including star anise, anise seed oil and sweet fennel. It is a commercial flavor substance in baked goods, candy,ice cream, chewing gum, and alcoholic beverages.
Packaging:	25, 100 mL in glass bottle

Symbol	GHS07,GHS09
Signal word	Warning
Hazard statements	H317 - H411
Precautionary statements	P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
Hazard Codes	Xi,N
Risk Statements	43-51/53
Safety Statements	36/37-61
RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	213.8 °F
Flash Point(C)	101 °C

Purity	99%
bp	234-237 °C (lit.)
mp	20-21 °C (lit.)
Density	0.988 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.561 (lit.)
UNSPSC	12352100