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Basic information
- CAS
128-50-7- Standard SMILES
CC1(C)C2CC=C(CCO)C1C2- InChIKey
ROKSAUSPJGWCSM-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.1357652
Overview
nopol has been reported in Daucus carota with data available.
Names & identifiers
- Preferred name
- Nopol
- IUPAC
- 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol
- English name
- NOPOL
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
Nopol128-50-7Nopol (terpene)6,6-Dimethyl-2-norpinene-2-ethanolBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-XK8HU7WJQCBicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-DTXSID108617802-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol2-(6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)ethanolRefChem:854687DTXCID00810661
Show more names
HomomyrtenolNOPOL 98%nopol(terpene)METHYLOL PINENE10-HYDROXYMETHYLENE-2-PINENE6-dimethyl-2-norpinene-2-ethano6,6-dimethyl-2-norpinene-2-ethano
204-890-32-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethan-1-ol6,6-Dimethyl-2-(2-hydroxyethyl)-2-norpineneHomomyretenol2-Norpinene-2-ethanol,6-dimethyl-MFCD000664196,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOLBicyclo[3.1.1]hept-2-ene-2-ethanol,6-dimethyl-
Database identifiers
- CAS
128-50-7、35836-73-8- PubChem CID
- 31408
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (Nopol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.965-0.973
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in organic solvents and oils
Miscible at room temperature (in ethanol)
Boiling Point
230.00 to 240.00 °C. @ 760.00 mm Hg
230 °C
Refractive Index1.490-1.500
Physical Description
Colorless viscous liquid; [Acros Organics MSDS]
Colroless, slight viscous liquid; mild woody camphoraceous odour
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 283 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Bicyclo3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Toxicity
- mouse,LD50,intramuscular,500mg/kg (500mg/kg),Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesPresent in carrot root oil; Used to make pesticides, soaps, detergents, and other household products; [Merck Index] Used as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-: ACTIVE
Applications
OccurrenceReported found in carrots
UsesNopol is by and large confined to woody and piney fragrance types, in which it may be the chief ingredient or "carrier". But its own odor contribution is very limited, and the title material will ruin almost any floral note if the Nopol is used at higher levels of concentration.
Preparation methods
PreparationNopol is produced by condensation of beta-Pinene with Formaldehyde under pressure (= at elevated temperature).
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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