alpha-methyl cinnamyl alcohol
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
It can be used in a wide variety of fragrance types, to add a sweet, balsamic, almond-spice note. It works well as a modifier in muguet as well as oriental types.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :(E)-4-phenylbut-3-en-2-ol
InChI :InChI=1/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7-
InChIKey :LLNAMUJRIZIXHF-CLFYSBASBK
SMILES :CC(\C=C\C1=CC=CC=C1)O
cas number :1504-55-8
(EINECS) number :216-128-7
molar refractivity :48.15 ± 0.3 cm3
parachor :362.9 ± 4.0 cm3
index of refraction :1.582 ± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.027 ± 0.06 g/cm3
polarizability :18.08 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 148.2016800 (IUPAC)
formula :C10 H12 O
NMR Predictor :Predict
 
 
export tariff code :2906.29.0000
fda reg :unspecified
Suppliers :
Sigma-Aldrich-Aldrich :trans-2-Methyl-3-phenyl-2-propen-1-ol
95%
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		sweet balsam floral oriental styrax
substantivity :48  Hour(s)
properties :
appearence :colorless to pale yellow liquid to solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02700 to 1.03200 @ 25.00 °C.
pounds per gallon - calc. : 8.546 to 8.587
refractive index :1.57000 to 1.57500 @ 20.00 °C.
boiling point : 288.00 to 289.00 °C. @ 760.00 mm Hg
boiling point : 77.00 °C. @ 0.10 mm Hg
vapor pressure :0.00158 mm/Hg @ 25.00 °C.
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 2.25
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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 36 - Wear suitable protective clothing.
Human experience : 2 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    2400.00  ul/kg
RIFM (1974c)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
maximum skin levels for fine fragrances :
  0.0100 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2004)
recommendation for alpha-methyl cinnamyl alcohol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  0.2000 %
dermal systemic exposure in cosmetic products :
 0.0051 mg/kg/day  (IFRA, 2004)
recommendation for alpha-methyl cinnamyl alcohol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(E)-4-phenylbut-3-en-2-ol
(EINECS) number :216-128-7
RTECS :GE2340000 for cas# 1504-55-8
chemidplus :017488652
EPA Substance Registry Services :1504-55-8
references :
 
(E)-4-phenylbut-3-en-2-ol
NIST Chemistry WebBook :1504558
pubchem :204610
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
alpha-methyl cinnamic alcohol
2-methyl-3-phenyl-2-propen-1-ol
alpha-methyl-3-phenyl-2-propen-1-ol
(E)-4-phenylbut-3-en-2-ol
soluble in :
 alcohol
 water, 2274 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 amyl isoeugenolFR
 benzoin absolute sumatraFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
alpha-bisaboleneFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cardamom absoluteFL/FR
 cinnamic acidFL/FR
 cinnamyl acetateFL/FR
 cinnamyl benzoateFL/FR
 cinnamyl cinnamateFL/FR
 citronellyl acetoneFL/FR
 clary sage absoluteFL/FR
 copaiba balsam oilFL/FR
 cyclohexyl crotonateCS
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 elder flowers absoluteFR
 eucalyptus citriodora oilFR
isoeugenyl ethyl acetalFR
 floral undecenoneFR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl benzoateFL/FR
 hydroxycitronellalFL/FR
beta-ionolFL/FR
pseudoiononeFL
(Z)-jasmoneFL/FR
 lilyallFR
 marigold pot absoluteFL/FR
4-methyl biphenylFL
alpha-methyl cinnamic alcoholFR
 methyl hydrocinnamateFL/FR
 myrrh resinoidFR
 opoponax oilFL/FR
 opoponax resinoidFR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
2-phenoxyethyl formateFR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl acetateFL/FR
3-phenyl propyl propionateFL/FR
1-phenyl-1-propanolFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
 rose oilFL/FR
 sandal cyclopropaneFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 wormwood oil annus franceFL/FR
 wormwood oil annus vietnamFL/FR
 ylang ylang absoluteFL/FR
potential uses :
 balsam
 muguet lily of the valley
 oriental
 spice
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010