Skip to main content

Safrole

ADVERTISEMENT
Identification
Molecular formula
C10H10O2
CAS number
94-59-7
IUPAC name
5-allyl-1,3-benzodioxole
State
State

At room temperature, safrole is typically a liquid but can solidify if the temperature drops below its melting point.

Melting point (Celsius)
11.00
Melting point (Kelvin)
284.15
Boiling point (Celsius)
232.00
Boiling point (Kelvin)
505.15
General information
Molecular weight
162.19g/mol
Molar mass
162.1900g/mol
Density
1.0970g/cm3
Appearence

Safrole is a colorless or slightly yellow oily liquid with a characteristic 'sassafras' odor. It can appear as a crystalline solid at cooler temperatures.

Comment on solubility

Solubility of 5-allyl-1,3-benzodioxole (C10H10O2)

5-allyl-1,3-benzodioxole is a fascinating compound whose solubility can be influenced by various factors. This compound exhibits certain characteristics that affect how well it dissolves in different solvents.

Factors Influencing Solubility

  • Polarity: The presence of hydroxyl and ether functional groups suggests that 5-allyl-1,3-benzodioxole has some degree of polarity, which generally enhances solubility in polar solvents.
  • Solvent Type: It is typically soluble in organic solvents such as ethanol, methanol, and acetone, but may have limited solubility in water due to its hydrophobic alkene side chain.
  • Temperature: Increasing the temperature often increases solubility, thus, 5-allyl-1,3-benzodioxole may dissolve better at elevated temperatures.

General Observations

In summary, while 5-allyl-1,3-benzodioxole may have a challenging relationship with water, it finds more compatibility with organic solvents. This characteristic can be crucial for applications in synthesis and formulation methods:

  • Practical Implication: Its solubility in various organic solvents allows it to be utilized in different chemical reactions.
  • Research Potential: Understanding its solubility can lead to insights into its reactivity and potential applications in fields like medicinal chemistry.

In conclusion, the solubility of 5-allyl-1,3-benzodioxole illustrates the complexities and nuances of chemical behavior in different mediums, which is essential for both scientific study and practical applications.

Interesting facts

Interesting Facts About 5-Allyl-1,3-benzodioxole

5-Allyl-1,3-benzodioxole is a fascinating organic compound that has garnered attention for its intriguing structure and potential applications. Below are some engaging details about this compound:

  • Structural Features: The compound features a unique benzodioxole ring, which consists of a fused benzene and dioxole moiety. This combination contributes to its stable yet reactive nature.
  • Natural Occurrence: This compound is often found in various essential oils and has been isolated from plants, imparting a hint of its prevalence in nature. It is especially noted in the context of aromatic herbs and spices.
  • Chemical Reactivity: Due to the presence of the allyl group, 5-allyl-1,3-benzodioxole exhibits interesting reactivity, making it a candidate for various synthetic transformations in organic chemistry.
  • Biological Activity: Research has indicated that compounds related to 5-allyl-1,3-benzodioxole may demonstrate promising biological properties, including antioxidant and anti-inflammatory effects, making them of interest in medicinal chemistry.
  • Applications in Fragrance: The compound's pleasant aromatic characteristics lend it potential uses in the fragrance industry, allowing it to contribute to the development of unique scents in perfumes and cosmetic products.

While still a subject of ongoing study, complex compounds like 5-allyl-1,3-benzodioxole remind us of the rich potential that organic chemistry holds in uncovering new materials and biological applications. As research continues, we may discover even more valuable uses for this compound that extend beyond our current understanding!

Synonyms
safrole
94-59-7
Safrol
5-Allyl-1,3-benzodioxole
Shikimole
Shikomol
Sassafras
Safrene
Safrole MF
Shikimol
1,3-Benzodioxole, 5-(2-propenyl)-
Allylcatechol methylene ether
5-(2-Propenyl)-1,3-benzodioxole
m-Allylpyrocatechin methylene ether
4-Allyl-1,2-methylenedioxybenzene
Allylpyrocatechol methylene ether
3,4-(Methylenedioxy)allylbenzene
4-Allylpyrocatechol formaldehyde acetal
5-prop-2-enyl-1,3-benzodioxole
1-Allyl-3,4-methylenedioxybenzene
Allyldioxybenzene methylene ether
RCRA waste number U203
Caswell No. 729
1,2-Methylenedioxy-4-allylbenzene
Benzene, 4-allyl-1,2-(methylenedioxy)-
1,3-Benzodioxole, 5-allyl-
CCRIS 553
NSC 11831
Benzene, 1,2-methylenedioxy-4-allyl-
HSDB 2653
EINECS 202-345-4
EPA Pesticide Chemical Code 097901
UNII-RSB34337V9
BRN 0136380
CHEBI:8994
3,4-methylenedioxy-allylbenzene
3-(3,4-Methylenedioxyphenyl)prop-1-ene
DTXSID0021254
AI3-00514
Alda-89
RSB34337V9
NSC-11831
4-Allyl-1,2-(methylenedioxy)benzene
DTXCID601254
(Allyldioxy)benzene methylene ether
5-19-01-00553 (Beilstein Handbook Reference)
NSC11831
1,2-methylenedioxy-4-allyl-Benzene
1-Allyl-3,4-(methylenedioxy)benzene
(1,2-(Methylenedioxy)-4-allyl)benzene
M-ALLYL PYROCATECHINMETHYLENE ETHER
SAFROLE (IARC)
SAFROLE [IARC]
1,3-Benzodioxole, 5-(2-propen-1-yl)-
5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
SAFROLE (USP-RS)
SAFROLE [USP-RS]
5-allyl-benzo(1,3)dioxole
5-allyl-benzo[1,3]dioxole
Safroles
Safrols
CAS-94-59-7
[1,2-(Methylenedioxy)-4-allyl]benzene
RCRA waste no. U203
Safrol glass
5-allylbenzo[d][1,3]dioxole
4 Allyl 1,2 methylenedioxybenzene
4-Allyl-1,2-methylenedioxybenzenes
Spectrum_001446
Safrole, >=97%
1, 5-allyl-
SAFROLE [MI]
3-[(3,4-Methylenedioxy)phenyl]-1-propene
Spectrum2_000775
Spectrum3_001105
Spectrum4_001939
Spectrum5_000843
1, 5-(2-propenyl)-
5-allyl-benzo-1,3-dioxole
SCHEMBL56828
BSPBio_002810
KBioGR_002319
KBioSS_001926
MLS001056251
DivK1c_001022
SPECTRUM1503620
SPBio_000850
3,4-Methylenedioxy-allybenzene
Safrole, 10mg/ml in Methanol
CHEMBL242273
5-?Allyl-?1,3-?benzodioxole
SCHEMBL13045858
HMS503M05
KBio1_001022
KBio2_001926
KBio2_004494
KBio2_007062
KBio3_002030
NINDS_001022
GLXC-10201
HMS1922E22
NCI-C00362
3, 4-(Methylenedioxy)allylbenzene
1-Allyl,3,4-methylenedioxy benzene
Tox21_202439
Tox21_300520
1,2-(Methylenedioxy)-4-allylbenzene
WLN: T56 BO DO CHJ G2U1
(E)5-1-Propenyl]-1,3-benzodioxole
AKOS016017163
1, 2-(Methylenedioxy)-4-allylbenzene
4-?Allyl-?1,2-?methylenedioxybenzene
4-Allyl-1, 2-(methylenedioxy)benzene
5-Allyl-1,3-benzodioxolerlet DS Base
CCG-214763
FS-3451
SDCCGMLS-0066708.P001
3-(3,4-methylendioxyphenyl)-1-propene
5-(2-propen-1-yl)-1,3-benzodioxole
IDI1_001022
USEPA/OPP Pesticide Code: 097901
NCGC00091122-01
NCGC00091122-02
NCGC00091122-03
NCGC00091122-04
NCGC00091122-05
NCGC00091122-06
NCGC00091122-07
NCGC00254416-01
NCGC00259988-01
AC-34312
SMR001216599
5-(2-Propenyl)-1,3-benzodioxole, 9CI
4-Allyl-1,2-(methylenedioxy)benzene, 8CI
DB-057512
NS00017606
S0002
Q412424
SR-05000002392
Safrole, certified reference material, TraceCERT(R)
SR-05000002392-1
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole
InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H
202-345-4