carvyl propionate
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IUPAC name :(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) propanoate
InChI :InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
InChIKey :DFVXNZOMAOGTBL-UHFFFAOYAS
SMILES :CCC(=O)OC1CC(CC=C1C)C(=C)C
cas number :97-45-0
(EINECS) number :202-583-9
beilstein number :2526499
fema number :2251
coe number :424
jecfa number :383
fl. number :09.143
molar refractivity :61.22 ± 0.4 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.475 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :24.27 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.10
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
InChI :InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12-/m1/s1
InChIKey :DFVXNZOMAOGTBL-VXGBXAGGBT
SMILES :CCC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C
cas number :97-45-0  (RR)
molar refractivity :61.22 ± 0.4 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.475 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :24.27 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.10
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
InChI :InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m0/s1
InChIKey :DFVXNZOMAOGTBL-NWDGAFQWBG
SMILES :CCC(=O)O[C@@H]1C[C@H](CC=C1C)C(=C)C
cas number :74431-24-6
molar refractivity :61.22 ± 0.4 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.475 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :24.27 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.10
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1S,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
InChI :InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m1/s1
InChIKey :DFVXNZOMAOGTBL-NEPJUHHUBM
SMILES :CCC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C
cas number :97-45-0  (SR)
molar refractivity :61.22 ± 0.4 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.475 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :24.27 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.10
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1S,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
InChI :InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12-/m0/s1
InChIKey :DFVXNZOMAOGTBL-RYUDHWBXBE
SMILES :CCC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C
cas number :97-45-0  (SS)
molar refractivity :61.22 ± 0.4 cm3
parachor :511.9 ± 6.0 cm3
index of refraction :1.475 ± 0.03
surface tension :30.7 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :24.27 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 3.10
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Inoue :CARVYL PROPIONATE
Penta :carveol propionate
SAFC Global® :(-)Carvyl propionate
≥97%, Kosher
Vigon :Carvyl Propionate Laevo
Odor:  SWEET, WARM, MINTY AND FRUITY
organoleptics :
odor type :minty
odor strength :medium
odor description:
at 100.00 %.  		sweet warm minty fruity
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94000 to 0.96200 @ 25.00 °C.
pounds per gallon - calc. : 7.822 to 8.005
refractive index :1.46900 to 1.47900 @ 20.00 °C.
boiling point : 78.00 to 80.00 °C. @ 0.20 mm Hg
boiling point : 239.00 °C. @ 760.00 mm Hg
flash point : 226.00  °F.  TCC  ( 107.78 °C. )
logP (o/w) : 4.05
safety :
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.04 (μg/capita/day)
Structure Class :I
 
recommendation for carvyl propionate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for carvyl propionate flavor usage levels up to :
  25.0000 ppm in the flavor.
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) propanoate
(EINECS) number :202-583-9
RTECS :OS8525000 for cas# 97-45-0
chemidplus :000097450
EPA Substance Registry Services :97-45-0
 
[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
 
 
 
[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
chemidplus :74431-24-6
EPA Substance Registry Services :74431-24-6
 
[(1S,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
 
[(1S,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
references :
 
(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) propanoate
fl. number :09.143
jecfa number :383
NIST Chemistry WebBook :1295368390
pubchem :150396
 
[(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
pubchem :44871948
 
[(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
pubchem :44871946
 
[(1S,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
pubchem :893157
 
[(1S,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate
pubchem :893155
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 carvyl propionate
(-)-carvyl propionate
laevo-carvyl propionate
para-mentha-1(6),8-dien-2-yl propionate
para-mentha-6,8-dien-2-ol propionate
para-mentha-6,8-dien-2-yl propionate
laevo-para-mentha-6,8(9)-dien-2-yl propionate
2-methyl-5-(1-methyl ethenyl)-2-cyclohexenyl propanoate
(2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) propanoate
Similar Products:    note
 allyl propionate
 allyl thiopropionate
 amyl propionate
isoamyl propionate
para-anisyl propionate
 benzyl propionate
 bornyl propionate
isobornyl propionate
 butyl propionate
isobutyl propionate
tert-butyl propionate
 cinnamyl propionate
 citronellyl propionate
para-cresyl propionate
 cyclohexyl propionate
 cyclotene propionate
 decyl propionate
 dewy propionate
 dicyclopentadiene propionate
 dimethyl benzyl carbinyl propionate
 dodecyl propionate
 ethyl propionate
 eugenyl propionate
 furfuryl propionate
 furfuryl thiopropionate
 geranyl propionate
 guaiacyl propionate
 heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl propionate
 neryl propionate
 nonisyl propionate
 nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
 octyl propionate
 phenethyl propionate
 phenoxyethyl propionate
3-phenyl propyl propionate
 propyl propionate
isopropyl propionate
 rhodinyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 citronellal diisotridecyl acetalFR
beta-cyclocitralFL/FR
 lilac lactoneFL/FR
 limonen-10-yl acetateFL
 menthyl acetateFL/FR
dextro,laevo-menthyl acetateFL/FR
potential uses :
 herbal
 mint
 peppermint
natural occurrence in :    note
 not found in nature  

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