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amber butanol

fragrance agents
2D:
3D:
CAS Number: 139504-68-0
ECHA EC Number: 412-300-2
FDA UNII: 1DR20642YH
Category: fragrance agents
IUPAC Name: amber butanol
InChI : InChI=1/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
Std.InChI: InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey : GQBVHGLNSHPKPG-UHFFFAOYAH
Std.InChIKey: GQBVHGLNSHPKPG-UHFFFAOYSA-N
SMILES : CCC(COC1CCCCC1C(C)(C)C)O
Molar Refractivity : 68.03 ± 0.4 cm3 (est)
Parachor : 588.7 ± 6.0 cm3 (est)
Index of Refraction : 1.463 ± 0.03 (est)
Surface Tension : 32.3 ± 5.0 dyne/cm (est)
Density : 0.92 ± 0.1 g/cm3 (est)
Polarizability : 26.97 ± 0.5 10-24cm3 (est)
Fragrance Demo Formulas

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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NCBI:Search

Physical Properties:

Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93100 to 0.94100 @ 20.00 °C.
Pounds per Gallon - (est).: 7.756 to 7.839
Refractive Index:1.46100 to 1.47100 @ 20.00 °C.
Boiling Point: 272.00 to 273.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 3.950 (est)
Soluble in:
alcohol
water, 34.85 mg/L @ 25 °C (est)
Insoluble in:
water
Stability:
ph from 2 - 12

Organoleptic Properties:

Cosmetic Information:

Suppliers:

Associate Allied Chemicals
Amber Core
About
Augustus Oils
Ambercore
Services
BOC Sciences
For experimental / research use only.
Amber core
Bontoux
AMBER CORE
Creatingperfume.com
Ambercore (Kao)
Odor: soft delicate woody amber note with a natural richness
Diffusions Aromatiques
AMBER CORE
Ernesto Ventós
AMBER CORE
Odor: DELICATE WOODY AMBER
Indukern F&F
AMBER CORE
Odor: WOODY, AMBER, SMOOTH
Kao Corporation
AMBER CORE
Odor: A very soft delicate woody amber note with a natural richness
Lluch Essence
AMBER CORE 98%
Odor: WOODY, AMBER LIKE
M&U International
Ambercore
Moellhausen
AMBER CORE
Odor: soft delicate woody amber note
Pell Wall Perfumes
Amber Core
Odor: Amber, woody, soft, sweet
Use: Description from Kao: “A very soft delicate woody amber note with a natural richness”, this is a very reasonably priced amber material that can be used alone or in support of the more expensive materials such as Ambrofix and Ambermax.Kao have this to say about its uses: “AMBER CORE excellently harmonizes with many materials. It blends well with a delicate composition such as Citrus and Muguet. It can be used in a big amount, recommended use level ; up to 50%, bringing to life a natural spirit in all fragrances”Such a natural spirit indeed that, despite being entirely synthetic in origin, it has been found in at least one “all natural” fragrance currently on the market!Arcadi Boix Camps, writes in 1999 that it “is beautiful, velvety and delicate, smelling similar to cedramber but with a different ambery nuance that is less costly. It is very effective in functional products because it is quite substantive. It is also very useful for boosting the fragrance of detergents. It forms part of the base called begur.”
Penta International
2-T-BUTYLCYCLOHEXYLOXY-2-BUTANOL
Stort Chemicals
Ambercore
The John D. Walsh Company
Ambercore
The Lermond Company
AMBERCORE
Zanos
Amber Core

Safety Information:

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for amber butanol usage levels up to:
40.0000 % in the fragrance concentrate.
Recommendation for amber butanol flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):139504-68-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :164422
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(2-tert-butylcyclohexyl)oxybutan-2-ol
Chemidplus:0139504680

References:

Leffingwell:Chirality or Article
1-(2-tert-butylcyclohexyl)oxybutan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):164422
Pubchem (sid):135119341

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2909.49.090
ChemSpider:View

Potential Blenders and core components :

For Odor
No odor group found for these
satinaldehyde
FL/FR
octanal propylene glycol acetal
FL/FR
amber
amber
(Z)-
abienol
FL/FR
acetoxymethyl isolongifolene
FR
amber acetate
FR
amber carane
FR
amber cyclohexanol
FR
amber naphthofuran
FL/FR
amber oxepin
FR
amber specialty
FR
ambermax 50 (Givaudan)
FR
formoxymethyl isolongifolene
FR
hydroxymethyl isolongifolene 50% in dpg
FR
labdanum absolute
FL/FR
balsamic
fir carboxylate
FR
mastic gum resin
FR
methyl hydrogenated rosinate
FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
opoponax resinoid replacer
FR
oriental specialty
FR
sclareol
FL/FR
styrax oil (liquidambar styraciflua)
FL/FR
styrax resin (liquidambar styraciflua)
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
valerian rhizome absolute
FL/FR
citrus
alpha-
methylene citronellal
FR
neroli ketone
FR
dusty
woody furan
FR
floral
boronia butenal
FR
orange leaf absolute
FL/FR
orris pyridine 25% IPM
FR
2-
pentyl cyclopentanone
FR
fruity
apple ketal
FL/FR
balsam specialty
FR
green
bergoxane
FR
cumin acetaldehyde
FL/FR
alpha-
elemol
FL/FR
fresh nitrile
FR
galbanum oil
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
1-
heptanol
FL/FR
(E)-2-
hexen-1-yl salicylate
FR
para-
methyl hydratropaldehyde
FL/FR
terpinyl propionate
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
bornyl salicylate
FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
romanal
FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
melon
(Z)-6-
nonenal
FL/FR
mossy
moss specialty
FR
oakmoss absolute
FL/FR
oily
mcp acetate
FR
orris
iso
eugenyl formate
FL/FR
powdery
midnight passion fragrance
FR
spicy
angelica seed absolute
FL/FR
iso
cyclogeraniol (IFF)
FR
2-
octanol
FL/FR
terpenic
angelica seed oil
FL/FR
woody
acetyl cedrene
FR
amber carbinol
FR
amber dioxane
FR
amber formate
FR
amber pentadecane
FR
cedarwood oil texas fractions
FR
alpha-
cedrene epoxide
FR
cedryl formate
FR
dragons blood fragrance
FR
frankincense resinoid replacer
FR
georgywood
FR
hydroxyambran
FR
iso
longifolene ketone
FR
2-
methoxy-4-vinyl phenol
FL/FR
methyl methylene tricyclodecanol acetate
FR
(4aR,5R,7aS,9R)-
octahydro-2,2,5,8,8,9a-hexamethyl-4h-4a,9-methanoazuleno(5,6-d)-1,3-dioxole
FR
patchouli woody amber fragrance
FR
sclareolide
FL/FR
tetramethyl-4-methylene-2-heptanol
FR
tobacarol (IFF)
FR
vetiver specialty
FR
woody cyclohexanone
FR
woody dioxolane
FR
woody nonane (ethoxy)
FR
For Flavor
No flavor group found for these
alpha-
elemol
FL/FR
iso
eugenyl formate
FL/FR
octanal propylene glycol acetal
FL/FR
amber
amber
amber naphthofuran
FL/FR
angelica seed oil
FL/FR
labdanum absolute
FL/FR
balsamic
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
styrax oil (liquidambar styraciflua)
FL/FR
styrax resin (liquidambar styraciflua)
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
floral
orange leaf absolute
FL/FR
satinaldehyde
FL/FR
fruity
apple ketal
FL/FR
valerian rhizome absolute
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
cumin acetaldehyde
FL/FR
galbanum oil
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
para-
methyl hydratropaldehyde
FL/FR
(Z)-6-
nonenal
FL/FR
oakmoss absolute
FL/FR
terpinyl propionate
FL/FR
smoky
2-
methoxy-4-vinyl phenol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
angelica seed absolute
FL/FR
2-
octanol
FL/FR
woody
(Z)-
abienol
FL/FR
sclareol
FL/FR
sclareolide
FL/FR

Occurrence (nature, food, other):

not found in nature

Synonyms:

amber butanol
amber core
ambercore
2-butanol, 1-((2-(1,1-dimethylethyl)cyclohexyl)oxy)-
2-butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]-
2-tert-butyl cyclohexyl oxy-2-butanol
1-(2-tert-butyl cyclohexyl oxy)-2-butanone
2-tert-butyl cyclohexyl oxybutanol
o-tert-butyl cyclohexyl oxybutanol-2
ortho-tert-butyl cyclohexyl oxybutanol-2
1-(2-tert-butylcyclohexyl)oxy-2-butanol
1-[(2-tert-butylcyclohexyl)oxy]butan-2-ol
1-(2-tert-butylcyclohexyl)oxybutan-2-ol
2-t-butylcyclohexyloxy-2-butanol
2-tert-butylcyclohexyloxy-2-butanol
1-(2-tert-butylcyclohexyloxy)-2-butanone
2-t-butylcyclohexyloxybutanol
2-tert-butylcyclohexyloxybutanol
o-tert-butylcyclohexyloxybutanol-2
1-((2-(1,1-dimethyl ethyl)cyclohexyl)oxy)-2-butanol
1-((2-(1,1-dimethylethyl)cyclohexyl)oxy)-2-butanol

Articles:

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