Cyclohexanecarboxylic acid
Also known as Hexahydrobenzoic acid, Carboxycyclohexane, Cyclohexanoic acid
Key facts
What buyers check first
- CAS number
- 98-89-5
- Formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- EC number
- 202-711-3
- HS code
- 291620
- Category
- Synthetic aroma chemicals
What is Cyclohexanecarboxylic acid?
Plain description, key identifiers and synonyms
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- cyclohexanecarboxylic acid
- CAS number
- 98-89-5 CAS number cross-checkedOther or deprecated CAS: 26764-36-3, 50825-29-1
- EC numbers
- 202-711-3, 256-790-4
- Molecular formula
- C7H12O2
- UNII
- H9VKD9VL18
- MDL number
- MFCD00001461
- INCI name
- CYCLOHEXANECARBOXYLIC ACID
- InChIKey
- NZNMSOFKMUBTKW-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
- SMILES (canonical and isomeric)
- C1CCC(CC1)C(=O)O
Synonyms
- Hexahydrobenzoic acid
- Carboxycyclohexane
- Cyclohexanoic acid
- Cyclohexylcarboxylic acid
- Benzoic acid, hexahydro-
- Cyclohexylmethanoic acid
- Cyclohexylformic acid
- Cyclohexancarbonsaeure
- Cyclohexane-1-carboxylate
- Cyclohexadienecarboxylicacid
- Cyclohexane-carboxylic acid
- Cyelohexanecarboxylic acid
- Cyclohexanecarboxylic acid, lead salt
- Cyclohexane carboxylic acid
- Cyclohexanecarboxylicacid
- cyclohexyl carboxylic acid
- 1-cyclohexanecarboxylic acid
- naphthenoic acid
- Hexahydrobenozic acid
- hexahydro-benzoic acid
- cyclohexane caboxylic acid
- Cyclohexanecarboxylic acid, lead salt (1:?)
- cyclo-hexanecarboxylic acid
- cycloh exanecarboxylic acid
- cyclohexancarbonsä, ure
Show all 36 synonymsShow fewer synonyms
- 3-Cyclihexencarboxylic acid
- 4-Cyclohexylcarboxylic acid
- 4-cyclohexanecarboxylic acid
- 1-cyclohexyl-carboxylic acid
- SAMPL4, O6
- cyclohexane-4-carboxylic acid
- 4-09-00-00016 (Beilstein Handbook Reference)
- Cyclohexanecarboxylic acid, 98%
- Nznmsofkmubtkw-uhfffaoysa-
- 7549-42-0 (calcium salt)
- Cyclohexanecarboxylic acid (Standard)
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 | 128.17 g/molcalc.Computed value |
|---|---|
| Exact mass | 128.0837 Dacalc.Computed value |
| LogP (octanol/water) | 1.65calc.Computed value |
| Topological polar surface area | 37.3 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 9calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.86calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H318Causes serious eye damage.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (18)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- 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.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- 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 aidCyclohexanecarboxylic acid suppliers
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- United StatesUnclaimed profileCyclohexanecarboxylic acidGrade, purity and minimum order on requestPrice on request
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- China, KowloonUnclaimed profileCyclohexanecarboxylic acidGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
31 suppliers in 9 countries
- China13
- United States10
- Canada2
- Switzerland1
- Germany1
- Hong Kong1
- and 3 more countries
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Cyclohexanecarboxylic acid price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name CYCLOHEXANECARBOXYLIC ACID(perfuming)
Functional uses
- Flavouring and nutrient
- Fragrance
Cosmetic functions
- Perfuming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Cyclohexanecarboxylic acid is traded under.
Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halidesโฆ
- Brazil20.3%
- United States15.7%
- India * partner reported12.8%
* Partner reported figures, a lower bound.
The HS code shown for Cyclohexanecarboxylic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Cyclohexanecarboxylic acid, based on the data on this page
What is Cyclohexanecarboxylic acid?
What is the CAS number of Cyclohexanecarboxylic acid?
What is the molecular formula and weight of Cyclohexanecarboxylic acid?
What is Cyclohexanecarboxylic acid used for?
Is Cyclohexanecarboxylic acid hazardous?
What is the HS code of Cyclohexanecarboxylic acid?
Where can I buy Cyclohexanecarboxylic acid?
Where can I buy Cyclohexanecarboxylic acid in India?
What is the price of Cyclohexanecarboxylic acid?
Guides for buyers
Practical guides that help when you source, ship or handle Cyclohexanecarboxylic acid
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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