1-allyl-3,4-methylendioxybenzene

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1-allyl-3,4-methylendioxybenzene; 4-allyl-1,2-methylenedioxybenzene; allylpyrocatecholmethylene ether; 3,4-methylenedioxyallylbenzene; 3,4-methylenedioxy-1-allylbenzene; 3,4-methylenedioxyphenyl-2-propene; 5-(2-propenyl)-1,3-benzodioxole; 5-prop-2-enyl-1,3-benzodioxole; safrol; safrole
Links:📏 NIST, 📖 PubMed,
📖Houben-Weyl, 2. Band (Safrol); p. 129, 258, 759, 922, 1031,
CAS RN:[94-59-7]
Formula:C10H10O2; 162.19 g/mol
InChiKey:ZMQAAUBTXCXRIC-UHFFFAOYSA-N
SMILES:C=CCc1ccc2OCOc2c1
Molecular structure of 1-allyl-3,4-methylendioxybenzene
Use:heliotropin; medicines; perfumery; piperonal; soaps; synthetic birch beer, gooseberry, root beer, and sarsaparilla flavors
Pharmaceutical use:anesthetic; antiseptic
Odor:main fragrance of safrole oil
Toxicology (LD50):200 mg/Kg (rabbit, iv); 1 000 mg/Kg(rabbit, or); 1 000 mg/Kg(rabbit, sc)
Density:1.100 g/mL
Molar volume:147.4 mL/mol
Refractive index:1.538
Molecular refractive power:46.12 mL/mol
Dielectric constant:3.10
Melting point:11 °C
Boiling point:232 °C
Antoine equation
P(Torr) vs T(°C)		Vapour pressure vs temperature

Isomers

5-acetyl-2,3-dihydrobenzo[b]furan
Molecular structure of 5-acetyl-2,3-dihydrobenzo[b]furan
allyl benzoate
Molecular structure of allyl benzoate
1-allyl-3,4-methylendioxybenzene
Molecular structure of 1-allyl-3,4-methylendioxybenzene
2-allyloxybenzaldehyde
Molecular structure of 2-allyloxybenzaldehyde
4-allyloxybenzaldehyde
Molecular structure of 4-allyloxybenzaldehyde
3-allylsalicylaldehyde
Molecular structure of 3-allylsalicylaldehyde
benzoylacetone
Molecular structure of benzoylacetone
benzyl acrylate
Molecular structure of benzyl acrylate
bicyclo[4.2.0]octa-1,3,5-trien-7-yl acetate
Molecular structure of bicyclo[4.2.0]octa-1,3,5-trien-7-yl acetate
1,2-diacetylbenzene
Molecular structure of 1,2-diacetylbenzene
1,3-diacetylbenzene
Molecular structure of 1,3-diacetylbenzene
1,4-diacetylbenzene
Molecular structure of 1,4-diacetylbenzene
3,3-dimethyl-2-benzofuran-1(3~H)-one
Molecular structure of 3,3-dimethyl-2-benzofuran-1(3H)-one
4,6-dimethyl-1-benzofuran-2(3H)-one
Molecular structure of 4,6-dimethyl-1-benzofuran-2(3H)-one
4,7-dimethyl-2-benzofuran-1(3H)-one
Molecular structure of 4,7-dimethyl-2-benzofuran-1(3H)-one
(4-ethenylphenyl) acetate
Molecular structure of (4-ethenylphenyl) acetate
4-ethenylphenyl acetate
Molecular structure of 4-ethenylphenyl acetate
3-ethyl-1(3H)-isobenzofuranone
Molecular structure of 3-ethyl-1(3H)-isobenzofuranone
1-ethynyl-3,5-dimethoxybenzene
Molecular structure of 1-ethynyl-3,5-dimethoxybenzene
6-hydroxy-3,4-dihydro-1(2H)-naphthalenone
Molecular structure of 6-hydroxy-3,4-dihydro-1(2H)-naphthalenone
7-hydroxy-4-methyl-1-indanone
Molecular structure of 7-hydroxy-4-methyl-1-indanone
7-hydroxy-6-methyl-1-indanone
Molecular structure of 7-hydroxy-6-methyl-1-indanone
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
Molecular structure of (E)-4-(2-hydroxyphenyl)but-3-en-2-one
(E)-4-(4-hydroxyphenyl)but-3-en-2-one
Molecular structure of (E)-4-(4-hydroxyphenyl)but-3-en-2-one
5-hydroxy-1-tetralone
Molecular structure of 5-hydroxy-1-tetralone
4-methoxy-1-indanone
Molecular structure of 4-methoxy-1-indanone
5-methoxy-1-indanone
Molecular structure of 5-methoxy-1-indanone
6-methoxy-1-indanone
Molecular structure of 6-methoxy-1-indanone
7-methoxy-1-indanone
Molecular structure of 7-methoxy-1-indanone
3-methoxy-4-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
Molecular structure of 3-methoxy-4-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
3-methoxy-5-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
Molecular structure of 3-methoxy-5-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
5-methoxy-3-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
Molecular structure of 5-methoxy-3-methylbicyclo[4.2.0]octa-1,3,5-trien-7-one
(E)-3-(2-methoxyphenyl)prop-2-enal
Molecular structure of (E)-3-(2-methoxyphenyl)prop-2-enal
(E)-3-(4-methoxyphenyl)prop-2-enal
Molecular structure of (E)-3-(4-methoxyphenyl)prop-2-enal
6-methyl-4-chromanone
Molecular structure of 6-methyl-4-chromanone
methyl cinnamate
Molecular structure of methyl cinnamate
methyl 4-ethenylbenzoate
Molecular structure of methyl 4-ethenylbenzoate
methyl (Z)-3-phenyl-2-propenoate
Molecular structure of methyl (Z)-3-phenyl-2-propenoate
(E)-2-methyl-3-phenylprop-2-enoic acid
Molecular structure of (E)-2-methyl-3-phenylprop-2-enoic acid
(2E)-3-(2-methylphenyl)prop-2-enoic acid
Molecular structure of (2E)-3-(2-methylphenyl)prop-2-enoic acid
(2E)-3-(3-methylphenyl)prop-2-enoic acid
Molecular structure of (2E)-3-(3-methylphenyl)prop-2-enoic acid
(2E)-3-(4-methylphenyl)prop-2-enoic acid
Molecular structure of (2E)-3-(4-methylphenyl)prop-2-enoic acid
(E)-4-phenyl-3-butenoic acid
Molecular structure of (E)-4-phenyl-3-butenoic acid
1-phenylcyclopropanecarboxylic acid
Molecular structure of 1-phenylcyclopropanecarboxylic acid
trans-2-phenylcyclopropane-1-carboxylic acid
Molecular structure of trans-2-phenylcyclopropane-1-carboxylic acid
phenyl methacrylate
Molecular structure of phenyl methacrylate
5-phenyloxolan-2-one
Molecular structure of 5-phenyloxolan-2-one
(E)-3-phenyl-2-propen-1-yl formate
Molecular structure of (E)-3-phenyl-2-propen-1-yl formate
1-phenylvinyl acetate
Molecular structure of 1-phenylvinyl acetate
2-prop-2-en-1-ylbenzoic acid
Molecular structure of 2-prop-2-en-1-ylbenzoic acid
1-propenyl-3,4-methylenedioxybenzene
Molecular structure of 1-propenyl-3,4-methylenedioxybenzene
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