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Aromatic building blocks

Phenylmethyl ss-hydroxycyclohexanepropanoate

Also known as Phenylmethyl ?-hydroxycyclohexanepropanoate, Phenylmethyl beta-hydroxycyclohexanepropanoate

CAS 250221-31-9Formula C16H22O3Molar mass 262.35 g/mol
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Phenylmethyl ss-hydroxycyclohexanepropanoate chemical structure, C16H22O3, CAS 250221-31-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
250221-31-9
Formula
C16H22O3
Molar mass
262.35 g/mol
HS code
291819
Category
Aromatic building blocks

What is Phenylmethyl ss-hydroxycyclohexanepropanoate?

Plain description, key identifiers and synonyms

Phenylmethyl ss-hydroxycyclohexanepropanoate is a chemical substance with the molecular formula C16H22O3 and a molar mass of 262.35 g/mol. Its CAS registry number is 250221-31-9. The IUPAC name is benzyl 3-cyclohexyl-3-hydroxypropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzyl 3-cyclohexyl-3-hydroxypropanoate
CAS number
250221-31-9
Molecular formula
C16H22O3
MDL number
MFCD34883915
InChIKey
HMPGBMZDCSJUGT-UHFFFAOYSA-N
InChI
InChI=1S/C16H22O3/c17-15(14-9-5-2-6-10-14)11-16(18)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2
SMILES (canonical and isomeric)
C1CCC(CC1)C(CC(=O)OCC2=CC=CC=C2)O

Synonyms

  • Phenylmethyl ?-hydroxycyclohexanepropanoate
  • Phenylmethyl beta-hydroxycyclohexanepropanoate

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
262.35 g/molcalc.
Exact mass
262.1569 Dacalc.
LogP (octanol/water)
3.06calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
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, O=C(CCC1CCCCC1)OCc1ccccc1

O=C(CCC1CCCCC1)OCc1ccccc1

2 rings, 18 atoms.

9 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.

Phenylmethyl ss-hydroxycyclohexanepropanoate suppliers

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Phenylmethyl ss-hydroxycyclohexanepropanoate 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 Phenylmethyl ss-hydroxycyclohexanepropanoate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Phenylmethyl ss-hydroxycyclohexanepropanoate, based on the data on this page

What is Phenylmethyl ss-hydroxycyclohexanepropanoate?

Phenylmethyl ss-hydroxycyclohexanepropanoate is a chemical substance with the molecular formula C16H22O3 and a molar mass of 262.35 g/mol. Its CAS registry number is 250221-31-9. The IUPAC name is benzyl 3-cyclohexyl-3-hydroxypropanoate.

What is the CAS number of Phenylmethyl ss-hydroxycyclohexanepropanoate?

The CAS registry number of Phenylmethyl ss-hydroxycyclohexanepropanoate is 250221-31-9.

What is the molecular formula and weight of Phenylmethyl ss-hydroxycyclohexanepropanoate?

The molecular formula of Phenylmethyl ss-hydroxycyclohexanepropanoate is C16H22O3 and its molar mass is 262.35 g/mol.

What is Phenylmethyl ss-hydroxycyclohexanepropanoate used for?

Known uses and roles of Phenylmethyl ss-hydroxycyclohexanepropanoate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Phenylmethyl ss-hydroxycyclohexanepropanoate hazardous?

No GHS hazard classification for Phenylmethyl ss-hydroxycyclohexanepropanoate 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 Phenylmethyl ss-hydroxycyclohexanepropanoate?

Phenylmethyl ss-hydroxycyclohexanepropanoate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenylmethyl ss-hydroxycyclohexanepropanoate?

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What is the price of Phenylmethyl ss-hydroxycyclohexanepropanoate?

Suppliers quote Phenylmethyl ss-hydroxycyclohexanepropanoate 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 Phenylmethyl ss-hydroxycyclohexanepropanoate

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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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