Global Information Lookup Global Information

Isosafrole information


Isosafrole[1]

trans-Isosafrole

cis-Isosafrole
Ball-and-stick model of isosafrole
Names
Preferred IUPAC name
5-(Prop-1-enyl)-2H-1,3-benzodioxole
Other names
5-(1-Propenyl)-1,3-benzodioxole
3,4-Methylenedioxyphenyl-1-propene
Identifiers
CAS Number
  • 120-58-1 checkY
  • (trans): 4043-71-4 checkY
  • (cis): 17627-76-8 checkY
3D model (JSmol)
  • (trans): Interactive image
  • (cis): Interactive image
ChEBI
  • CHEBI:6054
ChEMBL
  • ChEMBL487603 checkY
ChemSpider
  • 8131
  • (trans): 21106329 checkY
  • (cis): 1266029
ECHA InfoCard 100.004.010 Edit this at Wikidata
EC Number
  • 204-410-2
  • (cis): 241-611-4
KEGG
  • (trans): C10472
PubChem CID
  • 8439
  • (trans): 637796
  • (cis): 1549044
RTECS number
  • (trans): DA5950000
UNII
  • W6337429LF checkY
  • (trans): 94BY31ALL6 checkY
  • (cis): 253QUA24R1 checkY
UN number 3082
CompTox Dashboard (EPA)
  • DTXSID2020767 Edit this at Wikidata
InChI
  • InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
    Key: VHVOLFRBFDOUSH-UHFFFAOYSA-N
  • (trans): InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ checkY
    Key: VHVOLFRBFDOUSH-NSCUHMNNSA-N checkY
  • (cis): InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2-
    Key: VHVOLFRBFDOUSH-IHWYPQMZSA-N
SMILES
  • CC=Cc1ccc2OCOc2c1
  • (trans): C/C=C/C1=CC2=C(C=C1)OCO2
  • (cis): C/C=C\C1=CC2=C(C=C1)OCO2
Properties
Chemical formula
C10H10O2
Molar mass 162.188 g·mol−1
Density 1.1206 g/cm3, trans
1.1182 g/cm3, cis
Melting point 8.2 °C (46.8 °F; 281.3 K) trans
-21.5 °C, cis
Boiling point 255 °C (491 °F; 528 K) trans
243 °C, cis
Hazards
GHS labelling:
Pictograms
GHS07: Exclamation markGHS08: Health hazard
Signal word
Danger
Hazard statements
H302, H315, H341, H350
Precautionary statements
P201, P202, P264, P270, P280, P281, P301+P312, P302+P352, P308+P313, P321, P330, P332+P313, P362, P405, P501
Legal status
  • BR: Class D1 (Drug precursors)[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Infobox references

Isosafrole is an organic compound that is used in the fragrance industry. Structurally, the molecule is related to allylbenzene, a type of aromatic organic chemical. Its fragrance is reminiscent of anise or licorice. It is found in small amounts in various essential oils, but is most commonly obtained by isomerizing the plant oil safrole. It exists as two geometric isomers, cis-isosafrole and trans-isosafrole.

Isosafrole is a precursor to the important fragrance piperonal.[3] It can also be converted via the intermediate compound MDP2P into the psychoactive drug MDMA ('ecstasy'). As such it requires permits to purchase or sell in any significant quantity in the US.

  1. ^ Merck Index, 11th Edition, 5112
  2. ^ Anvisa (2023-03-31). "RDC Nº 784 - Listas de Substâncias Entorpecentes, Psicotrópicas, Precursoras e Outras sob Controle Especial" [Collegiate Board Resolution No. 784 - Lists of Narcotic, Psychotropic, Precursor, and Other Substances under Special Control] (in Brazilian Portuguese). Diário Oficial da União (published 2023-04-04). Archived from the original on 2023-08-03. Retrieved 2023-08-15.
  3. ^ Karl-Georg Fahlbusch, Franz-Josef Hammerschmidt, Johannes Panten, Wilhelm Pickenhagen, Dietmar Schatkowski, Kurt Bauer, Dorothea Garbe and Horst Surburg "Flavors and Fragrances" in Ullmann's Encyclopedia of Industrial Chemistry, Wiley-VCH, Weinheim, 2003. doi:10.1002/14356007.a11_141

and 24 Related for: Isosafrole information

Request time (Page generated in 0.5729 seconds.)

Isosafrole

Last Update:

Isosafrole is an organic compound that is used in the fragrance industry. Structurally, the molecule is related to allylbenzene, a type of aromatic organic...

Word Count : 206

Safrole

Last Update:

more. Isosafrole is produced synthetically from safrole. It is not found in nature. Isosafrole comes in two forms, trans-isosafrole and cis-isosafrole. Isosafrole...

Word Count : 3454

Piperonal

Last Update:

black pepper. Piperonal can be prepared by the oxidative cleavage of isosafrole or by using a multistep sequence from catechol or 1,2-methylenedioxybenzene...

Word Count : 745

MDMA

Last Update:

piperonal, safrole or isosafrole. One method is to isomerize safrole to isosafrole in the presence of a strong base, and then oxidize isosafrole to MDP2P. Another...

Word Count : 15730

Propenyl

Last Update:

propenylbenzene: Anethole Asarone Carpacin Coniferyl alcohol Isoeugenol Isosafrole Methyl isoeugenol Pseudoisoeugenol Isopropenyl acetate is a 2-propenyl...

Word Count : 126

Brazilian Controlled Drugs and Substances Act

Last Update:

Dihydroergotamine Ephedrine Ergometrine Ergotamine Etafedrine Helional Isosafrole Methyl alpha-acetylphenylacetate (MAPA) - (CAS: 16648-44-5 , CID 13096216...

Word Count : 1685

Precursor chemicals

Last Update:

ergonovine, and ergotamine LSD Ethylamine ethylamphetamine GBL GHB Safrole, isosafrole, and 3,4-methylenedioxyphenylpropan-2-one MDMA, MDEA, MDA Methylamine...

Word Count : 928

C10H10O2

Last Update:

formula C10H10O2 (molar mass : 162.18 g/mol) may refer to: Benzoylacetone Isosafrole, 3,4-methylenedioxyphenyl-1-propene 4-Methoxycinnamaldehyde Methyl cinnamate...

Word Count : 73

C9H11NO2

Last Update:

Norsalsolinol 3,4-Methylenedioxy-N-methylbenzylamine, closely related to isosafrole. Phenylalanine "N-(1,3-benzodioxol-5-ylmethyl)-N-methylamine". This set...

Word Count : 73

United Nations Convention Against Illicit Traffic in Narcotic Drugs and Psychotropic Substances

Last Update:

acetic anhydride N-Acetylanthranilic acid ephedrine ergometrine ergotamine isosafrole lysergic acid 3,4-methylenedioxyphenyl-2-propanone norephedrine phenylacetic...

Word Count : 1727

CYP1A2

Last Update:

"Identification of a human liver cytochrome P-450 homologous to the major isosafrole-inducible cytochrome P-450 in the rat". Molecular Pharmacology. 29 (4):...

Word Count : 2813

Acetone peroxide

Last Update:

peroxide can also occur accidentally...It is also a hazardous by-product of isosafrole oxidation in acetone, a step in illicit synthesis of MDMA, the street...

Word Count : 3810

DEA list of chemicals

Last Update:

Ethylamine and its salts etilamfetamine Propionic anhydride fentanyl Isosafrole MDMA, MDA Safrole MDMA, MDA Piperonal MDMA, MDA N-Methylephedrine, its...

Word Count : 418

California Proposition 65 list of chemicals

Last Update:

637-92-3 December 13, 2013 2-Ethylhexanoic acid 149-57-5 December 13, 2013 Isosafrole 120-58-1 December 8, 2006 Methyl isopropyl ketone 563-80-4 April 4, 2014...

Word Count : 211

IARC group 3

Last Update:

acid hydrazide (Isoniazid) Isophosphamide Isopropanol Isopropyl oils Isosafrole Jacobine Kaempferol Kojic acid Lauroyl peroxide Lead compounds, organic...

Word Count : 1536

Piperic acid

Last Update:

hydrogen to produce tetrahydropiperic acid. Piperonal Piperine Safrole Isosafrole Sesamol Piperonyl butoxide Cinnamic acid Paul M. Dewick. (2009). Medicinal...

Word Count : 246

Controlled Drugs and Substances Act

Last Update:

(12′-hydroxy-2′-methyl-5′-(phenylmethyl)ergotaman-3′,6′,18-trione) and its salts Isosafrole (5-(1-propenyl)-1,3-benzodioxole) Lysergic acid (9...

Word Count : 6685

Substituted methylenedioxyphenethylamine

Last Update:

Abbreviations Other Names CAS number 3,4-Methylenedioxyphenyl-1-propene Isosafrole 120-58-1 3,4-Methylenedioxyphenyl-2-propene Safrole, Shikimol 94-59-7...

Word Count : 312

Prins reaction

Last Update:

1919 publication were styrene (scheme 2), pinene, camphene, eugenol, isosafrole and anethole. These procedures have been optimized. Hendrik Jacobus Prins...

Word Count : 1068

European law on drug precursors

Last Update:

alpha-phenylacetoacetamide (APAA) alpha-phenylacetoacetonitrile (APAAN) isosafrole (cis + trans) 3,4-methylenedioxyphenylpropan-2-one piperonal safrole methyl...

Word Count : 424

Methylenedioxyphenylpropene

Last Update:

Methylenedioxyphenylpropene (C10H10O2) can refer to either: Isosafrole Safrole This set index article lists chemical compounds articles associated with...

Word Count : 42

DMMDA

Last Update:

Pigou P (July 2008). "Chemical markers from the peracid oxidation of isosafrole". Forensic Science International. 179 (1): 44–53. doi:10.1016/j.forsciint...

Word Count : 994

Angelica acutiloba

Last Update:

ligustilide, n-butylidenephthalide, folic acid, linoleic acid, safrole, and isosafrole. The extract of A. acutiloba roots is used in traditional Chinese medicine...

Word Count : 1753

Carpacin

Last Update:

Oda; M Beroza (1959). "Synthesis of Methylenedioxyphenyl Compounds from Isosafrole and Sesamol". J. Org. Chem. 24 (10): 1504. doi:10.1021/jo01092a029....

Word Count : 244

PDF Search Engine © AllGlobal.net