alpha-amyl cinnamyl alcohol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(phenylmethylidene)heptan-1-ol
InChI :InChI=1/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3
InChIKey :LIPHCKNQPJXUQF-UHFFFAOYAP
SMILES :CCCCCC(=CC1=CC=CC=C1)CO
(EINECS) number :202-982-8
cas number :101-85-9
beilstein number :3127316
fema number :2065
coe number :79
jecfa number :674
fl. number :02.030
molar refractivity :66.68 ± 0.3 cm3
parachor :522.0 ± 4.0 cm3
index of refraction :1.547 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :0.971 ± 0.06 g/cm3
polarizability :26.43 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 204.3080000
formula :C14 H20 O
 
 
IUPAC name :(2E)-2-(phenylmethylidene)heptan-1-ol
InChI :InChI=1/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+
InChIKey :LIPHCKNQPJXUQF-SDNWHVSQBI
SMILES :CCCCC/C(=C\C1=CC=CC=C1)/CO
cas number :101-85-9
beilstein number :3127316
fema number :2065
molar refractivity :66.68 ± 0.3 cm3
parachor :522.0 ± 4.0 cm3
index of refraction :1.547 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :0.971 ± 0.06 g/cm3
polarizability :26.43 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 204.3080000
formula :C14 H20 O
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
floral jasmin waxy
taste description³ :at 25.00 ppm.  
Sweet, spicy, astringent, green, floral and rosy
substantivity :320  Hour(s)
properties : 
appearence :pale yellow to yellow clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94400 - 0.95200 @ 25.00 °C.
pounds per gallon - calc. : 7.855 to 7.922
specific gravity :0.94500 - 0.95300 @ 20.00 °C.
pounds per gallon - calc. : 7.873 to 7.939
refractive index :1.51200 - 1.52000 @ 20.00 °C.
boiling point : 141.00 - 143.00 °C. @ 5.00 mm Hg
acid value : 3.00  max.  KOH/g
logp : 4.37
safety : 
Oral Toxicity(LD50) : Oral-Rat    4.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
IFRA critical Effect :Sensitization
Fragrance usage is RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :0.10 % (1)Category 2 :0.10 %
Category 3 :0.50 %Category 4 :1.60 %
Category 5 :0.80 %Category 6 :2.50 % (1)
Category 7 :0.30 %Category 8 :2.00 %
Category 9 :5.00 %Category 10 :2.50 %
Category 11 :See Note 
  
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case alpha-amyl cinnamyl alcohol) must not exceed 5% in the candle.

recommendation for alpha-amyl cinnamyl alcohol usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-982-8
rtecs :MJ3280000 for 101-85-9
chemidplus :101-85-9
epa-srs :101-85-9
  
chemidplus :000101859
epa-srs :101-85-9
  
other : 
 
references : 
pubchem :29226413
  
pubchem :150664
NIST Chemistry WebBook :3417668939
  
reference : Mosciano, Gerard P&F 16, No. 4, 45, (1991)³
synonyms :
 amyl cinnamic alcohol
N-amyl cinnamic alcohol
alpha-amyl cinnamyl alcohol
2-amyl-3-phenyl-2-propen-1-ol
2-benzylidene-1-heptanol
 buxinol
alpha-pentyl cinnamyl alcohol
2-pentyl-3-phenyl prop-2-en-1-ol
2-(phenyl methylene)-1-heptanol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 blossom
 floral
 herbal
 jasmin
 moss
 sandalwood
 woody
natural occurrence in :
not found in nature



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