cinnamyl alcohol
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Notes :
Cinnamon imatations.
 
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IUPAC name :3-phenylprop-2-en-1-ol
InChI :InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
InChIKey :OOCCDEMITAIZTP-UHFFFAOYAA
SMILES :C1=CC=C(C=C1)C=CCO
cas number :104-54-1
(EINECS) number :203-212-3
beilstein number :1903999
fema number :2294
coe number :65
jecfa number :647
fl. number :02.017
molar refractivity :43.67 ± 0.3 cm3
parachor :326.9 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.048 ± 0.06 g/cm3
polarizability :17.31 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3 : 1.90
molecular weight : 134.1751000 (IUPAC)
formula :C9 H10 O
pherobase floral:view
NMR Predictor :Predict
 

 
IUPAC name :(E)-3-phenylprop-2-en-1-ol
InChI :InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChIKey :OOCCDEMITAIZTP-QPJJXVBHBG
SMILES :C1=CC=C(C=C1)/C=C/CO
cas number :4407-36-7
molar refractivity :43.67 ± 0.3 cm3
parachor :326.9 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.048 ± 0.06 g/cm3
polarizability :17.31 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3 : 1.90
molecular weight : 134.1751000 (IUPAC)
formula :C9 H10 O
BioActivity Analysis :74391
NMR Predictor :Predict
 

 
IUPAC name :(Z)-3-phenylprop-2-en-1-ol
InChI :InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4-
InChIKey :OOCCDEMITAIZTP-DAXSKMNVBB
SMILES :C1=CC=C(C=C1)/C=C\CO
cas number :4510-34-3
molar refractivity :43.67 ± 0.3 cm3
parachor :326.9 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.048 ± 0.06 g/cm3
polarizability :17.31 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3 : 1.90
molecular weight : 134.1751000 (IUPAC)
formula :C9 H10 O
NMR Predictor :Predict
 

 
export tariff code :2906.29.0000
fda reg :172.515

Suppliers :
Aceto :Cinnamyl Alcohol
FCC
Advanced Biotech :cinnamyl alcohol
98% min. natural
Berje :Cinnamic Alcohol
Cargill :CINNAMYL ALCOHOL (EU NAT)
natural, Kosher
Odor:  Sweet, Balsamic, Hyacinth
Fleurchem :cinnamyl alcohol
natural
Fleurchem :cinnamyl alcohol
Godavari :Cinnamic alcohol
Inoue :CINNAMYL ALCOHOL
John D. Walsh :Cinnamic Alcohol
Moellhausen :cinnamic alcohol
98% min. nature identical kosher
Mooreganics :Cinnamic Alcohol
Natural (Organic Compliant)
Odor:  PLEASANT, FLORAL
Payand Betrand :Cinnamic Alcohol
Honduras, Natural Isolated Constituent
Penta :cinnamic alcohol
Polarome :CINNAMIC ALCOHOL
FCC
SAFC Global® :Cinnamyl alcohol
≥98%, Kosher
Odor:  balsam; hyacinth; sweet
Symrise :Cinnamic alcohol
Odor:  sweet, balsamic, floral tending towards hyacinthe
Flavor:  sweet, slightly cinnamic.
Ungerer :Cinnamyl Alcohol
Vigon :Cinnamic Alcohol Pure
FCC
Odor:  Sweet, balsamic, floral tending towards hyacinthe
Vigon :Cinnamic Alcohol
Desensitized
Odor:  SWEET, FLORAL BALSAMIC

organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  
sweet balsam hyacinth spicy green powdery cinnamic
Luebke, William tgsc, (1982)
odor sample from :Berje Inc.
odor description:
Cinnamon spice, floral, green and fermented with powdery balsamic nuances
Mosciano, Gerard P&F 19, No. 6, 53, (1994)
taste description:
at 20.00 ppm.  
Green, floral, spicy and honey with a fermented yeasty nuance
Mosciano, Gerard P&F 19, No. 6, 53, (1994)
substantivity :371 hour(s) at 100.00 %

properties :
appearence :pale yellow solid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
melting point : 30.00 to 34.00 °C. @ 760.00 mm Hg
boiling point : 250.00 to 258.00 °C. @ 760.00 mm Hg
boiling point : 169.00 to 170.00 °C. @ 50.00 mm Hg
vapor density :4.6 ( Air = 1 )
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 1.95
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
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 : 100 %: no skin irritation. 5 % solution: sensitising.
Oral Toxicity(LD50) : 
  Oral-Rat    2000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 855, 1974.

Oral-Mouse    2675.00  mg/kg
Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.

Oral-Guineapig    2675.00  mg/kg
Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 855, 1974.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1500.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1900.00 (μg/capita/day)
Structure Class :I
 
IFRA critical Effect :Sensitization
IFRA fragrance material specification :
 Should not be used such that the level in finished cosmetic products exceeds 0.8%. Based on test results showing sensitising potential. (IFRA guidelines).
Fragrance usage is IFRA 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 :
See Note (1)
0.09 % (1)Category 2 : 0.10 %
Category 3 : 0.40 %Category 4 : 1.40 %
Category 5 : 0.40 %Category 6 :
See Note (1)
2.20 % (1)
Category 7 : 0.20 %Category 8 : 0.40 %
Category 9 : 0.40 %Category 10 : 0.40 %
Category 11 :See Note (2)
 Notes :
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(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).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

recommendation for cinnamyl alcohol flavor usage levels up to :
  720.0000 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...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Cinnamic alcohol )
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 
3-phenylprop-2-en-1-ol
(EINECS) number :203-212-3
RTECS :GE2200000 for cas# 104-54-1
chemidplus :104-54-1
EPA Substance Registry Services :104-54-1
 
 
 
(E)-3-phenylprop-2-en-1-ol
chemidplus :000104541
EPA Substance Registry Services :4407-36-7
dtp/nci :8775
 
 
 
(Z)-3-phenylprop-2-en-1-ol
chemidplus :004510343
EPA Substance Registry Services :4510-34-3

references :
 
3-phenylprop-2-en-1-ol
fl. number :02.017
jecfa number :647
pubchem :24438684
Flavornet :104-54-1
 
(E)-3-phenylprop-2-en-1-ol
NIST Chemistry WebBook :3944657511
pubchem :10522946
 
(Z)-3-phenylprop-2-en-1-ol
NIST Chemistry WebBook :3050877755
pubchem :10523177

Cosmetics :
Cosmetic uses : flavoring agents
perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cinnamic alcohol
3-phenyl allyl alcohol
gamma-phenyl allyl alcohol
1-phenyl prop-1-en-3-ol
3-phenyl-2-propen-1-ol
3-phenyl-2-propenol
3-phenylprop-2-en-1-ol
 styrone
 styryl carbinol
 zimtalcohol

soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, 6190 mg/L @ 25C

insoluble in :
 paraffin oil
 glycerin
 water

stability :
 bath foam
 cream
 detergent
 hair spray
 lotion
 non-discoloring
 powder
 shampoo
 soap

potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl cinnamateFL/FR
 benzyl methyl etherFL/FR
alpha-bisaboleneFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cinnamyl acetateFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 citronellolFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 clove bud oilFL/FR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus root oilFL
 costus valerolactoneFR
 cotinus coggygria oil 
para-cresyl phenyl acetateFL/FR
 cubeb oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl salicylateFR
 decanolFL/FR
 deertongue absoluteFR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl salicylateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 elemi oilFL/FR
 ethyl cinnamateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 galbanum ketoneFR
 galbanum oilFL/FR
 geraniolFL/FR
 geranium oilFL/FR
 green etherFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heptyl cinnamateFL/FR
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-yl cinnamateFR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth butanalFR
 hyacinth etherFR
 ionones 
 kewda absolute 
 kewda oil 
 labdanum resinoidFR
 leafy acetalFL/FR
 leerallFR
 lilyallFR
laevo-linaloolFL/FR
 linalyl cinnamateFL/FR
 lovage root oilFL/FR
 melilot absoluteFR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl furfuracrylateFL
 methyl ionones 
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 musks 
 myrrh oilFL/FR
 myrrh resinoidFR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 octyl cinnamateFR
 patchouli ethanoneFR
 peru balsam oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl formateFL/FR
 phenethyl oxyacetaldehydeFR
 phenethyl salicylateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
2-phenoxyethyl formateFR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde ethylene glycol acetalFR
 phenyl glycol diacetateFR
2-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
 phenyl propyl phenyl acetateFL/FR
3-phenyl propyl propionateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
(Z,E)-phytolFL/FR
 raspberry ketoneFL/FR
 reseda acetalFR
 rose absoluteFL/FR
 rose butanoateFL/FR
 santallFR
 styralyl alcoholFL/FR
 tea acetateFR
 tetrahydrofurfuryl cinnamateFL/FR
 tolu balsamFL/FR
 tonka bean absoluteFR
10-undecen-1-alFL/FR
 valerian absoluteFL/FR
 vanillinFL/FR
 verymossFR
 vetiver oilFL/FR
 watermelon ketoneFR
 woody acetateFR
 wormwood oil annus franceFL/FR
 wormwood oil annus vietnamFL/FR
 ylang ylang oilFL/FR

potential uses :
 acacia
 aldehydic
 amber
 ambrene
 amour-amour
 apple blossom
 apricot
 azalea
 balsam
 bay rum
 bellodgia
 blue grass
 blue mist
 bluebell
 carnation dianthus oeillet
 cassia
 cassie acacia farnesiana
 cherry
 chocolate cocoa
 cinnamon
 cinq fleurs forvil
 currant
 daffodil narcissus
 floral
 gardenia
 grape
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 honey miel
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jasmin
 jonquil narcissus jonquilla
 joy
 lilac lilas syringa
 lily
 magnolia
 modifier
 muguet lily of the valley
 my sin
 narcissus narcisse
 neroli
 nut
 nut walnut
 orange blossom fleur d'oranger
 orchid
 oriental
 peach
 peony
 peru balsam
 plum
 powder
 prune
 rose
 rose d'orient
 rose moss rose
 rose red rose
 rose tea rose
 spice
 sweet pea pois de senteur
 tuberose tubereuse
 vanilla
 violet
 wallflower giroflee
 woody
 ylang ylang cananga
 zibeline

natural occurrence in :    note
 cassia  
data pagechampaca concrete @ 0.30% S
 cinnamon bark S
 cinnamon leaf S
data pagelime oil expressed florida @ trace% S
data pagenarcissus absolute @ 0.12% S
 raspberry plant  
 styrax  
 tolu balsam S
data pageylang ylang oil CO2 extract @ 0.02% S



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