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Impurities and reference standards

Estrone acetate

Also known as Hogival, Acetoxyestrone, Puboestrene

CAS 901-93-9Formula C20H24O3Molar mass 312.41 g/molEC 635-858-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard
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Estrone acetate chemical structure, C20H24O3, CAS 901-93-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
901-93-9
Formula
C20H24O3
Molar mass
312.41 g/mol
EC number
635-858-0
HS code
291539
Category
Impurities and reference standards

What is Estrone acetate?

Plain description, key identifiers and synonyms

estrone acetate has been reported in Holarrhena pubescens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
CAS number
901-93-9 CAS number cross-checked
EC number
635-858-0
Molecular formula
C20H24O3
UNII
4L6USG266B
MDL number
MFCD00056411
InChIKey
KDPQTPZDVJHMET-XSYGEPLQSA-N
InChI
InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1
Canonical SMILES
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12
Isomeric SMILES
CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C

Synonyms

  • Hogival
  • Acetoxyestrone
  • Puboestrene
  • Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-
  • [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
  • ((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-3-yl) acetate
  • 3-acetoxy-17-oxo-1,3,5(10)-estratriene
  • Estrone 3-acetate
  • Oestrone-3-acetate
  • Estroneacetate
  • Estriol EP Impurity K
  • (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
  • 3-Acetoxyestrone
  • 3-Acetoxyestrone R
  • Acetylestrone
  • 3-Acetylestrone
  • 3-o-Acetylestrone
  • 17-oxoestra-1,3,5(10)-trien-3-yl acetate
  • 3-Acetoxy-17-oxo-estra-1,3,5(10)-triene
  • 3-Hydroxyestra-1,3,5(10)-17-one acetate
  • 17-Oxo-1,3,5(10)-estratrien-3-yl acetate
  • 3Beta-acetoxyestra-1,3,5(10)-trien-17-one
  • 17-Oxoestra-1(10),2,4-trien-3-yl acetate #
  • (1S,11S,15S,10R)-15-methyl-14-oxotetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2, 4,6-trien-5-yl acetate

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
312.41 g/molcalc.
Exact mass
312.1725 Dacalc.
LogP (octanol/water)
4.04calc.
Topological polar surface area
43.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1CCC2C1CCC1c3ccccc3CCC12

O=C1CCC2C1CCC1c3ccccc3CCC12

4 rings, 18 atoms.

176 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H331Toxic if inhaled.
  • H335May cause respiratory irritation.
  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
  • H362May cause harm to breast-fed children.
Precautionary statements (26)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

Estrone acetate suppliers

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Estrone acetate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Estrone acetate 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 Estrone acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Estrone acetate, based on the data on this page

What is Estrone acetate?

estrone acetate has been reported in Holarrhena pubescens.

What is the CAS number of Estrone acetate?

The CAS registry number of Estrone acetate is 901-93-9.

What is the molecular formula and weight of Estrone acetate?

The molecular formula of Estrone acetate is C20H24O3 and its molar mass is 312.41 g/mol.

Is Estrone acetate hazardous?

Estrone acetate carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Estrone acetate?

Estrone acetate 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 Estrone acetate?

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What is the price of Estrone acetate?

Suppliers quote Estrone acetate 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 Estrone acetate

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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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