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Heterocyclic building blocks

alpha-Isosafrole

Also known as cis-Isosafrole, (Z)-Isosafrole, Isosafrole, cis-

CAS 17627-76-8Formula C10H10O2Molar mass 162.19 g/molEC 241-611-4
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alpha-Isosafrole chemical structure, C10H10O2, CAS 17627-76-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17627-76-8
Formula
C10H10O2
Molar mass
162.19 g/mol
EC number
241-611-4
HS code
293291
Category
Heterocyclic building blocks

What is alpha-Isosafrole?

Plain description, key identifiers and synonyms

alpha-Isosafrole is a cis-isomer of isosafrole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(Z)-prop-1-enyl]-1,3-benzodioxole
CAS number
17627-76-8 CAS number cross-checkedOther or deprecated CAS: 120-58-1
EC number
241-611-4
Molecular formula
C10H10O2
UNII
253QUA24R1
InChIKey
VHVOLFRBFDOUSH-IHWYPQMZSA-N
InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2-
Canonical SMILES
CC=Cc1ccc2c(c1)OCO2
Isomeric SMILES
C/C=C\C1=CC2=C(C=C1)OCO2

Synonyms

  • cis-Isosafrole
  • (Z)-Isosafrole
  • Isosafrole, cis-
  • Isosafrole cis-form
  • 5-((1Z)-1-Propenyl)-1,3-benzodioxole
  • 1,3-Benzodioxole, 5-(1Z)-1-propen-1-yl-
  • 5-[(1Z)-1-Propenyl]-1,3-benzodioxole
  • (Z)-5-(Propen-1-yl)-1,3-benzodioxole
  • 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-
  • 5-[(Z)-prop-1-enyl]-1,3-benzodioxole
  • Benzene, 1,2-(methylenedioxy)-4-propenyl-, (Z)-
  • cis-1,2-(Methylenedioxy)-4-propenylbenzene
  • 1, 5-(1-propenyl)-
  • Benzene,2-(methylenedioxy)-4-propenyl-
  • 5-cis-propenyl-benzo-1,3-dioxole
  • DEA NO. 8704 (Alpha-isosafrole)
  • 5-[(1Z)-1-Propenyl]-1,3-benzodioxole #

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
162.19 g/molcalc.
Exact mass
162.0681 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
18.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
12calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)OCO2

c1ccc2c(c1)OCO2

2 rings, 9 atoms, the 1,3-Benzodioxole ring system.

4,560 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

alpha-Isosafrole suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Controlled or monitored substance

alpha-Isosafrole is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for alpha-Isosafrole with their licence. Our compliance team reviews it before suppliers see it.

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alpha-Isosafrole price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

alpha-Isosafrole is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-Isosafrole is traded under.

HS 2932.91Indicative HS code

Isosafrole

World exports in 2024
$173K
−66.0% vs 2023, imports $428K
2019 to 2024
Top exporters
  1. United States34.2%
  2. Belgium33.2%
  3. India * partner reported24.8%
Top importers
  1. Belgium37.2%
  2. Netherlands29.2%
  3. Egypt21.2%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for alpha-Isosafrole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about alpha-Isosafrole, based on the data on this page

What is alpha-Isosafrole?

alpha-Isosafrole is a cis-isomer of isosafrole.

What is the CAS number of alpha-Isosafrole?

The CAS registry number of alpha-Isosafrole is 17627-76-8. Other or deprecated CAS numbers: 120-58-1.

What is the molecular formula and weight of alpha-Isosafrole?

The molecular formula of alpha-Isosafrole is C10H10O2 and its molar mass is 162.19 g/mol.

What is alpha-Isosafrole used for?

Known uses and roles of alpha-Isosafrole include building blocks in research and laboratory and screening compounds in research and laboratory.

Is alpha-Isosafrole hazardous?

No GHS hazard classification for alpha-Isosafrole is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of alpha-Isosafrole?

alpha-Isosafrole is usually classified under HS code 293291 (Isosafrole). This is indicative, confirm it with your customs broker before shipping.

Can I buy alpha-Isosafrole on CompoundList?

alpha-Isosafrole is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

Practical guides that help when you source, ship or handle alpha-Isosafrole

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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