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Aliphatic and alicyclic building blocks

beta-Ionyl acetate, (E)-

Also known as Ionyl acetate, beta-, 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate, (3E)-, beta-lonyl acetate, (E)-

CAS 53319-91-8Formula C15H24O2Molar mass 236.36 g/mol
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beta-Ionyl acetate, (E)- chemical structure, C15H24O2, CAS 53319-91-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53319-91-8
Formula
C15H24O2
Molar mass
236.36 g/mol
HS code
291539
Category
Aliphatic and alicyclic building blocks

What is beta-Ionyl acetate, (E)-?

Plain description, key identifiers and synonyms

Beta-Ionyl acetate is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
CAS number
53319-91-8Other or deprecated CAS: 22030-19-9
Molecular formula
C15H24O2
UNII
7416U6WD2T
InChIKey
WODKSVNXBYBTQC-CMDGGOBGSA-N
InChI
InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
Canonical SMILES
CC(=O)OC(C)C=CC1=C(C)CCCC1(C)C
Isomeric SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)C

Synonyms

  • Ionyl acetate, beta-
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate, (3E)-
  • beta-lonyl acetate, (E)-
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (E)-
  • (+-)-beta-ionyl acetate, (E)-
  • beta-Ionyl acetate, (E)-(+-)-
  • (+-)-beta-Lonyl acetate, (E)-
  • beta-Lonyl acetate, (E)-(+-)-
  • (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol Acetate
  • [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
  • (+/-)-beta-ionyl acetate, (E)-
  • beta-Ionyl acetate, (E)-(+/-)-
  • b-Ionyl acetate
  • beta Ionyl acetate
  • (E)-beta-ionyl acetate
  • beta-lonyl acetate
  • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol 2-Acetate
  • (+/-)-beta-lonyl acetate, (E)-
  • beta-lonyl acetate, (E)-(+/-)-
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (3E)-

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
236.36 g/molcalc.
Exact mass
236.1776 Dacalc.
LogP (octanol/water)
4.02calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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.

beta-Ionyl acetate, (E)- suppliers

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beta-Ionyl acetate, (E)- price

Indicative price range per kg from live supplier offers

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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

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code beta-Ionyl acetate, (E)- is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for beta-Ionyl acetate, (E)- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Ionyl acetate, (E)-, based on the data on this page

What is beta-Ionyl acetate, (E)-?

Beta-Ionyl acetate is a sesquiterpenoid.

What is the CAS number of beta-Ionyl acetate, (E)-?

The CAS registry number of beta-Ionyl acetate, (E)- is 53319-91-8. Other or deprecated CAS numbers: 22030-19-9.

What is the molecular formula and weight of beta-Ionyl acetate, (E)-?

The molecular formula of beta-Ionyl acetate, (E)- is C15H24O2 and its molar mass is 236.36 g/mol.

What is beta-Ionyl acetate, (E)- used for?

Known uses and roles of beta-Ionyl acetate, (E)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is beta-Ionyl acetate, (E)- hazardous?

No GHS hazard classification for beta-Ionyl acetate, (E)- 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 beta-Ionyl acetate, (E)-?

beta-Ionyl acetate, (E)- is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy beta-Ionyl acetate, (E)-?

Post a free request on CompoundList and suppliers of beta-Ionyl acetate, (E)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of beta-Ionyl acetate, (E)-?

Suppliers quote beta-Ionyl acetate, (E)- on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle beta-Ionyl acetate, (E)-

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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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