2-sec-Butyl cyclohexanone
Also known as 2-sec-Butylcyclohexanone, 2-(sec-Butyl)cyclohexanone, 2-(1-Methylpropyl)cyclohexanone
Key facts
What buyers check first
- CAS number
- 14765-30-1
- Formula
- C10H18O
- Molar mass
- 154.25 g/mol
- Physical form
- Liquid
- HS code
- 291429
- Category
- Synthetic aroma chemicals
What is 2-sec-Butyl cyclohexanone?
Plain description, key identifiers and synonyms
2-sec-Butyl cyclohexanone is a chemical substance with the molecular formula C10H18O and a molar mass of 154.25 g/mol. Its CAS registry number is 14765-30-1. The IUPAC name is 2-butan-2-ylcyclohexan-1-one.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-butan-2-ylcyclohexan-1-one
- CAS number
- 14765-30-1 CAS number cross-checked
- EC number
- 238-830-2
- Molecular formula
- C10H18O
- UNII
- 5WA6R1KL5J
- MDL number
- MFCD00051454
- INCI name
- 2-SEC-BUTYLCYCLOHEXANONE
- InChIKey
- RQXTZKGDMNIWJF-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3
- SMILES (canonical and isomeric)
- CCC(C)C1CCCCC1=O
Synonyms
- 2-sec-Butylcyclohexanone
- 2-(sec-Butyl)cyclohexanone
- 2-(1-Methylpropyl)cyclohexanone
- 2-sec-Butylcyclohexan-1-one
- Cyclohexanone, 2-(1-methylpropyl)-
- Cyclohexanone, 2-sec-butyl-
- Freskomenthe
- 2-(butan-2-yl)cyclohexan-1-one
- Butylcyclohexanone, O-sec-
- 2-sec-Butyl cyclohexanone, dl-
- Cyclohexanone, 2-sec-butyl-(7CI,8CI)
- 2-sec-Butyl cyclohexanone, (+-)-
- 2-butan-2-ylcyclohexan-1-one
- frescomenthe
- Cyclohexanone, 2-sec-butyl- (7CI,8CI)
- O-Sec-Butylcyclohexanone
- 2-sec-butyl-cyclohexanone
- 2-(butan-2-yl)cyclohexanone
- Cyclohexanone, sec-butyl, # 1
- Cyclohexanone, sec-butyl, # 2
- 2-(1-methylpropyl)-cyclohexanone
- 2-(methylpropyl)cyclohexan-1-one
- Cyclohexanone, sec.-butyl, # 2
- 2-sec-Butyl cyclohexanone, (+/-)-
- 2-sec-Butylcyclohexanone (mixture of isomers)
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
| Physical form | Liquidexp.Measured value |
|---|
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 | 154.25 g/molcalc.Computed value |
|---|---|
| Exact mass | 154.1358 Dacalc.Computed value |
| LogP (octanol/water) | 2.79calc.Computed value |
| Topological polar surface area | 17.07 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 11calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.9calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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
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.
2-sec-Butyl cyclohexanone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Germany, Holzminden ManufacturerUnclaimed profile2-sec-Butyl cyclohexanoneGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profile2-sec-Butyl cyclohexanoneGrade, purity and minimum order on requestPrice on request
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2-sec-Butyl cyclohexanone 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
Industrial uses: Fragrance.
Consumer uses: Fragrance.
Industries and functions
Cosmetic ingredient, INCI name 2-SEC-BUTYLCYCLOHEXANONE(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 2-sec-Butyl cyclohexanone is traded under.
Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other
- United States15.7%
- Japan8.7%
- Germany8.7%
* Partner reported figures, a lower bound.
The HS code shown for 2-sec-Butyl cyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 2-sec-Butyl cyclohexanone, based on the data on this page
What is 2-sec-Butyl cyclohexanone?
What is the CAS number of 2-sec-Butyl cyclohexanone?
What is the molecular formula and weight of 2-sec-Butyl cyclohexanone?
What is 2-sec-Butyl cyclohexanone used for?
Is 2-sec-Butyl cyclohexanone hazardous?
What is the HS code of 2-sec-Butyl cyclohexanone?
Where can I buy 2-sec-Butyl cyclohexanone?
What is the price of 2-sec-Butyl cyclohexanone?
Guides for buyers
Practical guides that help when you source, ship or handle 2-sec-Butyl cyclohexanone
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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