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Aromatic building blocks

RefChem:357151

Also known as 2-((5,6,7,8-Tetrahydronaphthalen-2-yl)methyl)benzoic acid, 2-[(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]benzoic acid, 2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)benzoic acid

CAS 5349-91-7Formula C18H18O2Molar mass 266.34 g/molEC 661-312-6
GHS signal word: Warning. Pictograms: Hazardous to the environment
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RefChem:357151 chemical structure, C18H18O2, CAS 5349-91-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5349-91-7
Formula
C18H18O2
Molar mass
266.34 g/mol
EC number
661-312-6
HS code
291639
Category
Aromatic building blocks

What is RefChem:357151?

Plain description, key identifiers and synonyms

RefChem:357151 is a chemical substance with the molecular formula C18H18O2 and a molar mass of 266.34 g/mol. Its CAS registry number is 5349-91-7. The IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzoic acid
CAS number
5349-91-7 CAS number cross-checked
EC number
661-312-6
Molecular formula
C18H18O2
InChIKey
DIQIMRBTAXGZBW-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O2/c19-18(20)17-8-4-3-7-16(17)12-13-9-10-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2,(H,19,20)
SMILES (canonical and isomeric)
C1CCC2=C(C1)C=CC(=C2)CC3=CC=CC=C3C(=O)O

Synonyms

  • 2-((5,6,7,8-Tetrahydronaphthalen-2-yl)methyl)benzoic acid
  • 2-[(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]benzoic acid
  • 2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)benzoic acid

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
266.34 g/molcalc.
Exact mass
266.1307 Dacalc.
LogP (octanol/water)
3.85calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
0calc.
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(Cc2ccc3c(c2)CCCC3)cc1

c1ccc(Cc2ccc3c(c2)CCCC3)cc1

3 rings, 17 atoms, the 6-Benzyl-1,2,3,4-tetrahydronaphthalene ring system.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • 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

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RefChem:357151 price

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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 RefChem:357151 is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for RefChem:357151 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:357151, based on the data on this page

Is RefChem:357151 hazardous?

RefChem:357151 carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

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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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