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Cosmetic preservatives

Hexan-2-yl 4-hydroxybenzoate

Also known as 1-methylpentyl p-hydroxybenzoate

CAS 40664-14-0Formula C13H18O3Molar mass 222.28 g/mol
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Hexan-2-yl 4-hydroxybenzoate chemical structure, C13H18O3, CAS 40664-14-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40664-14-0
Formula
C13H18O3
Molar mass
222.28 g/mol
HS code
291829
Category
Cosmetic preservatives

What is Hexan-2-yl 4-hydroxybenzoate?

Plain description, key identifiers and synonyms

Hexan-2-yl 4-hydroxybenzoate is a chemical substance with the molecular formula C13H18O3 and a molar mass of 222.28 g/mol. Its CAS registry number is 40664-14-0.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexan-2-yl 4-hydroxybenzoate
CAS number
40664-14-0 CAS number cross-checked
Molecular formula
C13H18O3
InChIKey
IUAZCGUUQIADAH-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O3/c1-3-4-5-10(2)16-13(15)11-6-8-12(14)9-7-11/h6-10,14H,3-5H2,1-2H3
SMILES (canonical and isomeric)
CCCCC(C)OC(=O)C1=CC=C(C=C1)O

Synonyms

  • 1-methylpentyl p-hydroxybenzoate

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
222.28 g/molcalc.
Exact mass
222.1256 Dacalc.
LogP (octanol/water)
3.13calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Hexan-2-yl 4-hydroxybenzoate suppliers

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Hexan-2-yl 4-hydroxybenzoate 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 Hexan-2-yl 4-hydroxybenzoate is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Hexan-2-yl 4-hydroxybenzoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexan-2-yl 4-hydroxybenzoate, based on the data on this page

What is Hexan-2-yl 4-hydroxybenzoate?

Hexan-2-yl 4-hydroxybenzoate is a chemical substance with the molecular formula C13H18O3 and a molar mass of 222.28 g/mol. Its CAS registry number is 40664-14-0.

What is the CAS number of Hexan-2-yl 4-hydroxybenzoate?

The CAS registry number of Hexan-2-yl 4-hydroxybenzoate is 40664-14-0.

What is the molecular formula and weight of Hexan-2-yl 4-hydroxybenzoate?

The molecular formula of Hexan-2-yl 4-hydroxybenzoate is C13H18O3 and its molar mass is 222.28 g/mol.

What is Hexan-2-yl 4-hydroxybenzoate used for?

Known uses and roles of Hexan-2-yl 4-hydroxybenzoate include preservatives in cosmetics and personal care.

Is Hexan-2-yl 4-hydroxybenzoate hazardous?

No GHS hazard classification for Hexan-2-yl 4-hydroxybenzoate 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 Hexan-2-yl 4-hydroxybenzoate?

Hexan-2-yl 4-hydroxybenzoate is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexan-2-yl 4-hydroxybenzoate?

Post a free request on CompoundList and suppliers of Hexan-2-yl 4-hydroxybenzoate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hexan-2-yl 4-hydroxybenzoate?

Suppliers quote Hexan-2-yl 4-hydroxybenzoate 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 Hexan-2-yl 4-hydroxybenzoate

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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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