(±)-Neoisomenthol
Also known as (+-)-Neoisomenthol, (-)-Neoisomenthol, dl-Neoisomenthol
Key facts
What buyers check first
- Physical form
- Crystals
- Melting point
- 37.8 °C
- Boiling point
- 216.1 °C
- Density
- 0.904 at 59 °F (NTP, 1992) - Less dense than water, will float
- Flash point
- 91.1 °C
- HS code
- 290611
- Category
- Impurities and reference standards
What is (±)-Neoisomenthol?
Plain description, key identifiers and synonyms
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
- CAS number
- 64282-88-8 CAS number cross-checkedOther or deprecated CAS: 491-02-1, 89-78-1
- EC number
- 207-724-8
- Molecular formula
- C10H20O
- UNII
- 1JE64OEH7Y, 1SNM7D2SFV
- InChIKey
- NOOLISFMXDJSKH-GUBZILKMSA-N
- InChI
- InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
- Canonical SMILES
- CC1CCC(C(C)C)C(O)C1
- Isomeric SMILES
- C[C@H]1CC[C@H]([C@H](C1)O)C(C)C
Synonyms
- (+-)-Neoisomenthol
- (-)-Neoisomenthol
- dl-Neoisomenthol
- Neoisomenthol, (-)-
- (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
- all-cis-2-Isopropyl-5-methylcyclohexanol
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5S)-
- (1S,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5alpha))-
- (+/-)-Neoisomenthol
- (A+/-)-neoisomenthol
- Emtricitabine Impurity 29
- Neoisomenthol, (+/-)-
- (1S,2S,5S)-Emtricitabine Impurity N8
- (1S,2S,5S)-2-Isopropyl-5-methylcyclohexanol
- (1S,2S,5S)-2-Isopropyl-5-methylcyclohexan-1-ol
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5.alpha.))-
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 | Crystalsexp.Measured value |
|---|---|
| Melting point | 37.8 °Cexp.Measured value |
| Boiling point | 216.1 °Cexp.Measured value |
| Density | 0.904 at 59 °F (NTP, 1992) - Less dense than water, will floatexp.Measured value |
| Flash point | 91.1 °Cexp.Measured value |
| Solubility | Less than 1 mg/mL at 70 °F (NTP, 1992)exp.Measured value |
| Vapour pressure | 1 mmHg at 133 °F approximately (NTP, 1992)exp.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 | 156.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 156.1514 Dacalc.Computed value |
| LogP (octanol/water) | 2.44calc.Computed value |
| Topological polar surface area | 20.23 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 11calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.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.
(±)-Neoisomenthol suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade (±)-Neoisomenthol can send you quotes. Your contact details stay private until you accept a quote.
(±)-Neoisomenthol 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
Industrial uses: Odor agents, Fragrance.
Consumer uses: Fragrance.
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 (±)-Neoisomenthol is traded under.
Menthol
- India * partner reported21.3%
- China17.9%
- United States10.9%
* Partner reported figures, a lower bound.
The HS code shown for (±)-Neoisomenthol 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
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
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 (±)-Neoisomenthol, based on the data on this page
What is (±)-Neoisomenthol?
What is (±)-Neoisomenthol used for?
Guides for buyers
Practical guides that help when you source, ship or handle (±)-Neoisomenthol
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.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
Get quotes for (±)-Neoisomenthol
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of (±)-Neoisomenthol with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/neoisomenthol-64282-88-8" title="(±)-Neoisomenthol structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Impurities and reference standards or HS code 290611