CompoundList
Sign in
Screening compounds

Astacene

Also known as Astacin, beta,beta-Carotene-3,3',4,4'-tetrone, 3,3'-Dihydroxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione

CAS 514-76-1Formula C40H48O4Molar mass 592.82 g/mol
Get quotes Safety data
Astacene chemical structure, C40H48O4, CAS 514-76-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
514-76-1
Formula
C40H48O4
Molar mass
592.82 g/mol
HS code
291429
Category
Screening compounds

What is Astacene?

Plain description, key identifiers and synonyms

Astacene is a carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'. It derives from a hydride of a beta-carotene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3,4-dioxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-dione
CAS number
514-76-1
Molecular formula
C40H48O4
UNII
1JRM9Z96G0
InChIKey
RASZIXQTZOARSV-QISQUURKSA-N
InChI
InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(=O)CC1(C)C
Isomeric SMILES
CC1=C(C(CC(=O)C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(=O)CC2(C)C)C)\C)\C)/C)/C

Synonyms

  • Astacin
  • beta,beta-Carotene-3,3',4,4'-tetrone
  • 3,3'-Dihydroxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione
  • all-trans-beta-carotene-3,3',4,4'-tetrone

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
592.82 g/molcalc.
Exact mass
592.3553 Dacalc.
LogP (octanol/water)
9.32calc.
Topological polar surface area
68.28 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
10calc.
Heavy atoms
44calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CC(=O)C(=O)CC2)CCC1=O

O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CC(=O)C(=O)CC2)CCC1=O

2 rings, 34 atoms.

No other chemical in our database has 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.

Astacene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Astacene can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Astacene 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.

Get latest price

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 Astacene is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Astacene, based on the data on this page

What is Astacene?

Astacene is a carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'. It derives from a hydride of a beta-carotene.

What is the CAS number of Astacene?

The CAS registry number of Astacene is 514-76-1.

What is the molecular formula and weight of Astacene?

The molecular formula of Astacene is C40H48O4 and its molar mass is 592.82 g/mol.

What is Astacene used for?

Known uses and roles of Astacene include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Astacene hazardous?

No GHS hazard classification for Astacene 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 Astacene?

Astacene is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Astacene?

Post a free request on CompoundList and suppliers of Astacene will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Astacene?

Suppliers quote Astacene 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 Astacene

Get quotes for Astacene

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Astacene
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Astacene with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/astacene-514-76-1" title="Astacene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 291429

Price on request
Free quotes, contact stays private
Get quotes