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Heterocyclic building blocks

Isoambrettolide, (E)-

Also known as 9E-isoambrettolide, trans-Isoambrettolide, Oxacycloheptadec-10-en-2-one, (10E)-

CAS 63286-42-0Formula C16H28O2Molar mass 252.40 g/molEC 249-120-7
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment
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Isoambrettolide, (E)- chemical structure, C16H28O2, CAS 63286-42-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63286-42-0
Formula
C16H28O2
Molar mass
252.40 g/mol
EC number
249-120-7
HS code
293220
Category
Heterocyclic building blocks

What is Isoambrettolide, (E)-?

Plain description, key identifiers and synonyms

Isoambrettolide, (E)- is a chemical substance with the molecular formula C16H28O2 and a molar mass of 252.40 g/mol. Its CAS registry number is 63286-42-0. The IUPAC name is (10E)-1-oxacycloheptadec-10-en-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10E)-1-oxacycloheptadec-10-en-2-one
CAS number
63286-42-0 CAS number cross-checkedOther or deprecated CAS: 28645-51-4
EC numbers
249-120-7, 814-308-5
Molecular formula
C16H28O2
UNII
K3X72T3M7I
InChIKey
QILMAYXCYBTEDM-HNQUOIGGSA-N
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1+
Canonical SMILES
O=C1CCCCCCCC=CCCCCCCO1
Isomeric SMILES
C1CCC/C=C/CCCCCCOC(=O)CCC1

Synonyms

  • 9E-isoambrettolide
  • trans-Isoambrettolide
  • Oxacycloheptadec-10-en-2-one, (10E)-
  • Oxacycloheptadec-10-en-2-one, (E)-
  • Oxacycloheptadec-10-en-2-one
  • (E)-isoambrettolide
  • (10E)-1-oxacycloheptadec-10-en-2-one
  • Oxacycloheptadec-a10-aen-a2-aone, (10E)a-

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
252.40 g/molcalc.
Exact mass
252.2089 Dacalc.
LogP (octanol/water)
4.78calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.81calc.
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, O=C1CCCCCCCC=CCCCCCCO1

O=C1CCCCCCCC=CCCCCCCO1

1 ring, 18 atoms, the Oxacycloheptadec-10-ene-2-one ring system.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H317May cause an allergic skin reaction.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (10)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Isoambrettolide, (E)- suppliers

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Isoambrettolide, (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

Consumer uses: Fragrance.

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 Isoambrettolide, (E)- is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Isoambrettolide, (E)-, based on the data on this page

What is Isoambrettolide, (E)-?

Isoambrettolide, (E)- is a chemical substance with the molecular formula C16H28O2 and a molar mass of 252.40 g/mol. Its CAS registry number is 63286-42-0. The IUPAC name is (10E)-1-oxacycloheptadec-10-en-2-one.

What is the CAS number of Isoambrettolide, (E)-?

The CAS registry number of Isoambrettolide, (E)- is 63286-42-0. Other or deprecated CAS numbers: 28645-51-4.

What is the molecular formula and weight of Isoambrettolide, (E)-?

The molecular formula of Isoambrettolide, (E)- is C16H28O2 and its molar mass is 252.40 g/mol.

What is Isoambrettolide, (E)- used for?

Consumer uses: Fragrance.

Is Isoambrettolide, (E)- hazardous?

Isoambrettolide, (E)- carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isoambrettolide, (E)-?

Isoambrettolide, (E)- is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoambrettolide, (E)-?

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What is the price of Isoambrettolide, (E)-?

Suppliers quote Isoambrettolide, (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

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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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