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| CAS Number | 104-46-1 |
| Catalog Number | AG009KAO(AGN-PC-0A5BCH) |
| Chemical Name | Anethole |
| FEMA Number | 2086 |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI | 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 |
| MDL Number | MFCD00009284 |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.2017 |
| SMILES | C/C=C/C1=CC=C(OC)C=C1 |
| UN Number | 1993 |
| UNII | Q3JEK5DO4K |
| Synonyms | 1-(4-methoxyphenyl)propene,
1-methoxy-4-(1-propenyl)benzene,
anethole,
anethole, (E)-isomer,
anethole, (Z)-isomer,
p-propenylanisole,
trans-anethole,
trans-Anethole,
ANETHOLE,
4180-23-8,
104-46-1,
(E)-Anethole,
p-Propenylanisole,
4-Propenylanisole,
(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene,
Anise camphor,
trans-Anethol,
Isoestragole,
Anethol,
p-Anethole,
Oil of aniseed,
(E)-Anethol,
Aniskampfer,
Monasirup,
trans-p-Propenylanisole,
(E)-p-Propenylanisole,
cis-Anethol,
p-1-Propenylanisole,
(E)-1-(4-Methoxyphenyl)propene,
1-Methoxy-4-(prop-1-en-1-yl)benzene,
Nauli gum,
trans-4-(1-Propenyl)anisole,
trans-p-Anethole,
(E)-1-Methoxy-4-(1-propenyl)benzene,
1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene,
trans-p-Methoxy-beta-methylstyrene,
1-Methoxy-4-(1-propenyl)benzene,
Anisole, p-propenyl-, trans-,
Propene, 1-(p-methoxyphenyl)-,
t-anethole,
trans-1-p-Anisylpropene,
1-methoxy-4-[(E)-prop-1-enyl]benzene,
trans-Anethole (natural),
UNII-Q3JEK5DO4K,
Benzene, 1-methoxy-4-(1E)-1-propenyl-,
Anethole, trans-,
1-Propene, 1-(4-methoxyphenyl)-,
MFCD00009284,
Benzene, 1-methoxy-4-(1-propenyl)-, (E)-,
Propenylanisole, p-, (E)-,
(E)-1-p-Methoxyphenylpropene,
Anisole, p-propenyl-,
1-Methoxy-4-propenylbenzene,
FEMA No. 2086,
trans-1-Methoxy-4-(1-propenyl)benzene,
Anisole, p-propenyl-, (E)-,
CCRIS 2481,
4-Methoxypropenylbenzene,
1-p-Methoxyphenylpropene, trans-,
trans-Anethole, 99%,
EINECS 224-052-0,
Methoxy-beta-methylstyrene, trans-p-,
Q3JEK5DO4K,
4-Methoxy-1-propenylbenzene,
trans-1-(p-Methoxyphenyl)-1-propene,
trans-1-(4-Methoxyphenyl)-1-propene,
NSC 209529,
p-Propenylphenyl methyl ether,
BRN 0636190,
1-Methoxy-4-((1E)-1-propenyl)benzene,
Benzene, 1-methoxy-4-(1-propenyl)-,
1-Methoxy-4-(1-propenyl)benzene, (E)-,
p-Methoxy-.beta.-methylstyrene,
Acintene O,
CHEBI:35616,
NSC4018,
Anethole (NF),
Anethole [NF],
Anethol (synthetic),
Caswell No. 051B,
p-Propenylmethoxybenzene,
DSSTox_CID_87,
FEMA Number 2086,
NSC 4018,
Methoxy-4-propenylbenzene,
Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-,
p-Methoxy-beta-methylstyrene,
DSSTox_RID_75356,
DSSTox_GSID_20087,
1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene,
E-anethole,
CCRIS 6211,
HSDB 1427,
trans-Anise camphor,
Benzene, 1-methoxy-4-(propenyl)-,
EINECS 203-205-5,
Anethole, trans,
1-(4-Methoxyphenyl)-1(3)-propene,
Nauli ''gum'',
EPA Pesticide Chemical Code 015604,
BRN 0774229,
(E)-1-methoxy-4-(prop-1-enyl)benzene,
p-(1-Propenyl)anisole,
Anethole [USAN],
4-(1-propenyl)anisole,
CAS-4180-23-8,
AI3-00380,
Benzene, 1-methoxy-4-(1-propen-1-yl)-,
1-(p-Methoxyphenyl)propene,
SR-05000001866,
4-06-00-03796 (Beilstein Handbook Reference),
CHEBI:2716,
trans-1-(p-Methoxyphenyl)propene,
trans-tnethole,
isoestragol>,
1-Methoxy-4-[1-propenyl]benzene #,
Anethol, trans-,
Anisole, trans-,
p-propenylanisol>,
Nauli 'gum',
50770-19-9,
EINECS 256-753-2,
AC1LCUHK,
para-methoxyphenylpropene',
Spectrum5_000727,
EC 224-052-0,
ghl.PD_Mitscher_leg0.12,
SCHEMBL48599,
BSPBio_002818,
trans-p-Methoxypropenylbenzene,
2-06-00-00523 (Beilstein Handbook Reference),
SPECTRUM1503705,
WLN: 2U1R DO1,
Anethol, natural, 99%, FG,
AC1Q56Q9,
CHEMBL452630,
Jsp000441,
DTXSID9020087,
WLN: 2U1R DO1 -T,
(E)-1-Methoxy-4-propenylbenzene,
RUVINXPYWBROJD-ONEGZZNKSA-N,
HMS1922I20,
HMS2089P20,
HMS2093I09,
Pharmakon1600-01503705,
ZINC967630,
trans-Anethole, analytical standard,
25679-28-1,
HY-B0900,
NSC-4018,
Tox21_202282,
Tox21_300132,
BBL027751,
CCG-38720,
NSC209529,
NSC758626,
STK801277,
trans-p-Methoxy-.beta.-methylstyrene,
trans-Anethole, >=99%, FCC, FG,
AKOS000121299,
DS-2756,
LS-2410,
NE10646,
NSC-209529,
NSC-758626,
RTR-030614,
1-((1E)prop-1-enyl)-4-methoxybenzene,
methyl 4-(prop-1-en-1-yl)phenyl ether,
NCGC00091493-02,
NCGC00091493-03,
NCGC00091493-04,
NCGC00091493-05,
NCGC00091493-06,
NCGC00091493-07,
NCGC00254015-01,
NCGC00259831-01,
AJ-24537,
AN-18858,
CJ-04629,
SC-47202,
ZB015469,
SBI-0052758.P002,
trans-Anethole, purum, >=98.0% (GC),
ST2408089,
TC-138812,
TR-030614,
trans''-1-methoxy-4-(prop-1-enyl)benzene,
Benzene,1-Methoxy-4-(1-Propenyl)-,(E)-,
P0494,
ST50330583,
X8716,
Z4733,
A14711,
C10428,
D02377,
AB00053256-02,
AB00053256_03,
Q-201853,
SR-05000001866-1,
SR-05000001866-2,
W-108812,
BRD-K49060658-001-01-5,
I14-111054,
trans-Anethole, primary pharmaceutical reference standard,
UNII-A79C64YD3Q component RUVINXPYWBROJD-ONEGZZNKSA-N,
Anethole, United States Pharmacopeia (USP) Reference Standard,
BENZENE,1-METHOXY,4-PROPENYL(TRANS) TRANS ANETHOL,
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3,
trans-Anethole, Pharmaceutical Secondary Standard; Certified Reference Material,
anethol-,
cis-Anethole,
cis-p-Anethole,
anethole-trithione,
Nauli "gum",
(Z)-Anethole,
(E) - anethole,
cis-p-Propenylanisole,
Anisole, (E)-,
Benzene, (E)-,
anethole, (E)-isomer,
anethole, (Z)-isomer,
Anisole, 4-propenyl-,
UNII-A79C64YD3Q,
Anethol 21/22 synth.,
1-(4-methoxyphenyl)propene,
UNII-21C2F5E8RE,
Anethole (isomer unspecified),
C10H12O,
A79C64YD3Q,
Benzene,1-methoxy-4- -,oxidized,
KST-1A4876,
Anethol 99% for synthesis 500ml,
EINECS 288-194-5,
AR-1A7621,
Benzene, 1-methoxy-4-(propen-1-yl)-,
C10-H12-O,
CID637563,
ACN-035377,
CS-4365,
PARA METHOXY ALPHA PHENYL PROPENE,
Benzene, 1-methoxy-4(1E)-1-propenyl-,
1-Methoxy-4-(1E)-1-propen-1-ylbenzene,
Benceno, 1-metoxi-4-(1E)-1-propen-1-il-,
Benzene, 1-methoxy-4-(1-propenyl)-, oxidized,
C006578,
4484-80-4,
85681-56-7,
trans-Anethole, 98.5%, from Foeniculum vulgare Mill. - 100ML 100ml,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 148.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.205g/mol |
| Monoisotopic Mass | 148.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H317 |
| Packing Group | |
| Precautionary statements | P261-P280 |
| UN Code |
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| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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