piperitol
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IUPAC Name - 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
InChI - InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3
InChIKey - HPOHAUWWDDPHRS-UHFFFAOYAB
SMILES - CC1=CC(C(CC1)C(C)C)O
CAS Number : 491-04-3
(EINECS) Number :207-725-3
FEMA Number :3179
COE Number :10248
Molar Refractivity :47.43 ± 0.3 cm3 (est)
Parachor :395.7 ± 6.0 cm3 (est)
Index of Refraction :1.480 ± 0.02 (est)
Surface Tension :31.6 ± 3.0 dyne/cm (est)
Density :0.924 ± 0.06 g/cm3 (est)
Polarizability :18.80 ± 0.5 10-24cm3 (est)
XlogP : 2.50 (est)
XlogP3-AA : 2.10 (est)
Molecular Weight : 154.2493200 (IUPAC) (PT) (112)
Formula :C10 H18 O
NMR Predictor :Predict
 
 
Category :flavoring agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 434
Fl@vouring Number : 02.083
FDA Mainterm : P-MENTH-1-EN-3-OL.

Suppliers :
Nanjing :piperitol
orders in chinese.

Organoleptics :
Odor Type :herbal
Odor Strength :medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol.  
herbal

Properties :
Appearence :white to pale amber crystals
Assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :0.93000 to 0.93600 @ 25.00 °C.
Pounds per Gallon - est. : 7.739 to 7.788
Refractive Index :1.47620 @ 25.00 °C.
Melting Point : 96.00 to 97.00 °C. @ 760.00 mm Hg
Boiling Point : 230.00 to 232.00 °C. @ 760.00 mm Hg
Flash Ppoint : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 2.94

Safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.02 (μg/capita/day)
Structure Class :I
 
Recommendation for piperitol fragrance usage levels up to :
 not for fragrance use.

Safety References :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
(EINECS) Number :207-725-3
Chemidplus :000491043
EPA Substance Registry Services :491-04-3

References :
 
3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
NIST Chemistry WebBook :2732024493
Pubchem :153546
Flavornet :491-04-3

Other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
3-carvomenthenol
3-hydroxy-4-isopropyl-1-methyl cyclohexene
para-menth-1-en-3-ol
1-para-menthen-3-ol
1-methyl-4-isopropyl-1-cyclohexen-3-ol
3-methyl-6-(1-methyl ethyl)-2-cyclohexen-1-ol
3-methyl-6-propan-2-yl cyclohex-2-en-1-ol
3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
6-(isopropyl)-3-methyl cyclohex-2-en-1-ol

Soluble in :
 alcohol

Insoluble in :
 water

Potential Blenders :    note
 bornyl formateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL
 calamenene 
 carvacryl methyl etherFL/FR
 cistus absoluteFL/FR
 frankincense absoluteFL/FR
 herbal acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
1-para-menthen-9-yl acetateFL/FR
T-muurolol 
3-octanon-1-olFL/FR
 patchouli absoluteFR
 privet dioxaneFR
 rosemary absoluteFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 terpinyl isobutyrateFL/FR
 thymyl methyl etherFL/FR
 woody acetateFR

Potential Uses :
 balsam 
 herbalFL
 oriental 

Natural Occurrence in :    note
data pageartemisia deserti krasch. oil iran @ 1.40% S
data pagecascarilla bark oil @ 0.10% S
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.10% S



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