amber carbinol
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3,4,5,6,6pentamethyl-2-heptanol
InChI :InChI=1/C12H26O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h8-11,13H,1-7H3
InChIKey :XEFKRPWKRQTXDA-UHFFFAOYAL
SMILES :CC(C(C)C(C)C(C)(C)C)C(C)O
cas number :87118-95-4
(EINECS) number :401-030-0
molar refractivity :58.97 ± 0.3 cm3
parachor :510.9 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.2 ± 3.0 dyne/cm
density :0.825 ± 0.06 g/cm3
polarizability :23.38 ± 0.5 10-24cm3
molecular weight : 186.3342400 (IUPAC)
formula :C12 H26 O
NMR Predictor :Predict
 
 
export tariff code :2905.19.0090
fda reg :unspecified

Suppliers :
IFF :Kohinool®
≥94% (sum of isomers)
Odor:  Exquisite floral, woody odor with dry, ambery, vetivert and raisin nuances.
John D. Walsh :Kohinool
Nanjing :2-heptanol,3,4,5,6,6-pentamethyl-
Penta :kohinool

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
woody amber dry fatty soapy raisin
odor sample from :International Flavors & Fragrances Inc.
substantivity :44  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86300 to 0.87100 @ 25.00 °C.
pounds per gallon - calc. : 7.181 to 7.248
specific gravity :0.86400 to 0.87200 @ 20.00 °C.
pounds per gallon - calc. : 7.198 to 7.264
refractive index :1.45400 to 1.46000 @ 20.00 °C.
boiling point : 209.00 to 210.00 °C. @ 760.00 mm Hg
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 4.32

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

safety in use :
 
recommendation for amber carbinol usage levels up to :
  35.0000 % in the fragrance concentrate.
recommendation for amber carbinol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 3,4,5,6,6pentamethyl-2-heptanol
(EINECS) number :401-030-0
chemidplus :087118954
EPA Substance Registry Services :87118-95-4

references :
 3,4,5,6,6pentamethyl-2-heptanol
pubchem :3781355

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1991)¹
CosIng :cosmetic data
synonyms :
 kohinool
 methyl diisoamyl carbinol
3,4,5,6,6pentamethyl-2-heptanol
3,5,6,6-tetramethyl-4-methylene-2-heptanol

soluble in :
 alcohol
 dipropylene glycol

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap

(odor and/or flavor) blends with :
 amber carbinol
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl isobutyrate
 dodecanal
 dodecanol
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 gardenia oxide
 geraniol
 geranyl acetate
 green acetate
 guaiacwood oil
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 indole
 ionones
2,4-ivy carbaldehyde
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl anthranilate
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 mimosa absolute
 muguet carboxaldehyde
 musks
 nerol
 nerolidol
 neryl acetate
 oakmoss absolute
 ocean propanal
 orris pyridine
 patchouli ethanone
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl propionate
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tonka bean absolute
gamma-undecalactone
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 amber
 ambrette
 animal
 ash mountain ash
 azalea
 balsam
 bark
 bayberry
 boxwood
 burberry
 cabreuva
 cassia blossom
 cedar forest
 champaca champak
 chestnut blossom
 christmas blends
 chypre
 cistus
 clary sage
 clean
 clove blossom
 coronilla
 cyclamen
 daffodil narcissus
 dahlia
 daisy
 daphne
 date
 dogwood
 dry
 elderberry
 fern fougere
 fig
 fir balsam
 fir needle
 flouve blossom
 forest
 galanga
 ginger
 ginger white ginger
 gingergrass
 grass sweet grass
 guaiacwood
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 incense
 labdanum
 lavender
 leather
 maja
 meadow
 musk
 oriental
 petunia
 phlox
 pine
 prune
 raisin
 rose d'orient
 rose dog rose
 rose moss rose
 sandalwood
 soapy
 spicewood
 stephanotis
 tarragon
 tea
 tropical
 vetiver
 woodruff asperula
 woody

natural occurrence in :
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 © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/15/2009