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Skin conditioning agents and actives

Prunasin

Also known as (R)-Prunasin, D-Prunasin, (2R)-Prunasin

CAS 99-18-3Formula C14H17NO6Molar mass 295.29 g/molEC 202-738-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 3 suppliers listed
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Prunasin chemical structure, C14H17NO6, CAS 99-18-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99-18-3
Formula
C14H17NO6
Molar mass
295.29 g/mol
EC number
202-738-0
HS code
293890
Category
Skin conditioning agents and actives

What is Prunasin?

Plain description, key identifiers and synonyms

(R)-prunasin is a prunasin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
CAS number
99-18-3 CAS number cross-checked
EC number
202-738-0
Molecular formula
C14H17NO6
UNII
14W4BPM5FB
MDL number
MFCD00049232
INCI name
PRUNASIN
InChIKey
ZKSZEJFBGODIJW-GMDXDWKASA-N
InChI
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
Canonical SMILES
N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Synonyms

  • (R)-Prunasin
  • D-Prunasin
  • (2R)-Prunasin
  • (R)-alpha-(beta-D-Glucopyranosyloxy)benzene-acetonitrile
  • (R)-mandelonitrile beta-D-glucoside
  • (2R)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
  • (R)-mandelonitrile beta-D-glucopyranoside
  • (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
  • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-, (R)-
  • (2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
  • Prunasine
  • (2R)-2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)acetonitrile
  • (2R)-2-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyacetonitrile
  • prunasin, (R)-
  • mandelonitrile-beta-glucoside
  • alpha-(beta-D-glucopyranosyloxy)benzeneacetonitrile
  • D,L-mandelonitrile-beta-D-glucoside
  • (R)-(beta-D-Glucopyranosyloxy)phenylacetonitrile
  • Prunacin
  • (R)-2-Phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
  • D-Mandelonitrile-beta-D-glucoside
  • R-Prunasin
  • (-)-Prunasin
  • (2R)-Prunasin, (R)-Prunasin, D-Prunasin
  • (-)-(2R)-Prunasin
Show all 32 synonyms
  • 5-17-07-00405 (Beilstein Handbook Reference)
  • Mandelonitrile glucoside D-form
  • (2R)-(beta-D-glucosyloxy)(phenyl)acetonitrile
  • (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3
  • (a-R)-a-(b-D-Glucopyranosyloxy)benzeneacetonitrile
  • Benzeneacetonitrile, alpha-(beta-d-glucopyranosyloxy)-, (.alpha.r)-
  • (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-acetonitrile

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
295.29 g/molcalc.
Exact mass
295.1056 Dacalc.
LogP (octanol/water)
-0.93calc.
Topological polar surface area
123.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
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, c1ccc(COC2CCCCO2)cc1

c1ccc(COC2CCCCO2)cc1

2 rings, 14 atoms, the 2-Benzyloxytetrahydropyran ring system.

223 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)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H360May damage fertility or the unborn child.
Precautionary statements (10)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Prunasin suppliers

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

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Prunasin 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.

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Uses and applications

What the substance is used for, by industry and function

Cosmetic ingredient, INCI name PRUNASIN(skin conditioning)

Pharmacological actions

  • Enzyme Inhibitors

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Prunasin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Prunasin?

(R)-prunasin is a prunasin.

What is the CAS number of Prunasin?

The CAS registry number of Prunasin is 99-18-3.

What is the molecular formula and weight of Prunasin?

The molecular formula of Prunasin is C14H17NO6 and its molar mass is 295.29 g/mol.

What is Prunasin used for?

Known uses and roles of Prunasin include skin conditioning agents in cosmetics and personal care, biochemical and pharmacological tools in research and laboratory, skin conditioning, softener and conditioner and enzyme inhibitors.

Is Prunasin hazardous?

Prunasin carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may damage fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Prunasin?

Prunasin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Prunasin?

CompoundList lists 3 suppliers of Prunasin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Prunasin?

Suppliers quote Prunasin 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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