CAS number
94-59-7

Molecular formula
C10H10O2

SMILES
C=CCC1=CC2=C(C=C1)OCO2

Retention indicies (RI)

• DB5: 1290.14
• Carbowax: 1882.6

Safety labels

Translation missing: en.custom_ghs07 Translation missing: en.custom_ghs08

spicy	83.67%
sweet	69.01%
floral	54.47%
woody	52.4%
warm	50.2%
herbal	46.67%
clove	43.35%
cinnamon	41.75%
balsamic	37.04%
phenolic	35.22%

Scent© AI

XLogP3-AA
3.0 Well soluble in DEP, BB, IAA

Molecular weight
162.18 g/mol

Vapor pressure est.

• 0.0889 hPa @ 20°C
• 0.135 hPa @ 25°C

Evaporation rate
Moderate

Melting points

• 52.2 °F (NTP, 1992)
• 11.2 °C

Boiling points

• 450 to 453 °F at 760 mmHg (NTP, 1992)
• 235 °C
• 232–234 °C

Flash points

• 208 °F (NTP, 1992)
• 212 °F (100 °C) (Closed cup)

Solubilities

• less than 1 mg/mL at 64 °F (NTP, 1992)
• Insoluble in water
• Very soluble in ethanol; miscible with ethyl ether, chloroform
• Soluble in alcohol; slightly soluble in propylene glycol; insoluble in glycerol
• Practically insoluble to insoluble in water
• Soluble (in ethanol)

• 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
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