verbenol
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IUPAC name :4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI :InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
InChIKey :WONIGEXYPVIKFS-UHFFFAOYAI
SMILES :CC1=CC(C2CC1C2(C)C)O
cas number :473-67-6
(EINECS) number :207-470-8
fema number :3594
coe number :10304
jecfa number :1404
fl. number :02.101
molar refractivity :45.55 ± 0.3 cm3
parachor :362.5 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :1.002 ± 0.06 g/cm3
polarizability :18.05 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
BioActivity Analysis :98376
NMR Predictor :Predict
 
 
export tariff code :2906.19.5000
fda reg :172.515

Suppliers :
Bedoukian Research :VERBENOL
≥94.0%, Kosher
Odor:  A fresh piney note with an ozonic character
Nippon Terpene :Verbenol
70%
Penta :verbenol

organoleptics :
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
fresh pine ozone

properties :
appearence :white to pale yellow crystalline solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.49000 @ 20.00 °C.
melting point : 63.00 to 67.00 °C. @ 760.00 mm Hg
boiling point : 214.00 to 215.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :2.37000 mm/Hg @ 25.00 °C.
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 2.46

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    125.00  mg/kg

Oral-Rat    >5000.00  mg/kg

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
 
recommendation for verbenol usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for verbenol usage levels up to :
  10.0000 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
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
(EINECS) number :207-470-8
chemidplus :000473676
EPA Substance Registry Services :473-67-6
dtp/nci :44159

references :
 4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
fl. number :02.101
jecfa number :1404
NIST Chemistry WebBook :4244411735
pubchem :197377

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 berbenol
4-hydroxy-2,6,6-trimethyl bicyclo(3.1.1)hept-2-ene
2-pinen-4-ol
 trimethyl bicyclo-3-hepten-2-ol
4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-ol
4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
dextro-verbenol

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) used in :
 herbal
 incense
 lavender spike lavender
 ozone
 pine
 rosemary

natural occurrence in :
data pagebay leaf oil anise @ 0.4%
data pagebay leaf oil clove @ 1.2%
data pagecarrot seed oil @ 2.34%
olibanum resin
turpentine oil



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