Basic information
- CAS
4028-59-5- Standard SMILES
C=C(C)C1CCC(C)(O)C1C- InChIKey
ZRVPDCMGGOSDKG-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
a monoterpene alcohol; structure given in first source
Names & identifiers
- Preferred name
- Plinol
- IUPAC
- 1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
- English name
- PLINOL
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
72402-00-7Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-DTXSID10868138PLINOLRefChem:863842DTXCID90816273276-639-61,2-dimethyl-3-(prop-1-en-2-yl)cyclopentan-1-ol1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol4099-07-4clary alcoholPlinol A
Show more names
1,2-dimethyl-3-(1-methylethenyl)-cyclopentano1,2-dimethyl-3-(1-methylethenyl)-Cyclopentanol
1,2-Dimethyl-3-(1-methylethenyl)cyclopentanolEINECS 276-639-6PLINOL SPECIAL3-Isopropenyl-1,2-dimethylcyclopentan-1-olSCHEMBL296212Cyclopentanol, 3-isopropenyl-1,2-dimethyl-, (1R,2S,3R)-(-)-1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol (1R-(1alpha,2alpha,3beta))-AKOS006282034
Database identifiers
- CAS
4028-59-5、4099-07-4、72402-00-7- PubChem CID
- 20046
- DTXSID
DTXSID10868138- EC Number
- 276-639-6
- Nikkaji
- J299.108J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
LogP2.87
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 209 °C · 209 °C
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
- pka
- 15.25 · 15.25±0.60(Predicted)
- Odor
- 100 % · at 100.00 %. camphor citrus spicy
- Odor Type
- camphoreous
- Water Solubility
- 1.482 g/L · 1.482g/L(23.5 ºC)
- Henry's Law Constant
- 5.3 · 5.3×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- LogP
- 2.866 · 2.866 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)- (72402-00-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-: ACTIVE
Related reactions
1 records
Compound notes
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