EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

tetrahydrolinalyl acetate
3-octanol, 3,7-dimethyl-, acetate

Sponsors

Fragrance Demo Formulas
Name:3,7-dimethyloctan-3-yl acetate
CAS Number: 20780-48-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:244-033-0
FDA UNII:2NDV3959AX
Nikkaji Web:J225.332A
XlogP3-AA:3.80 (est)
Molecular Weight:200.32168000
Formula:C12 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85600 to 0.86600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.123 to 7.206
Refractive Index:1.41600 to 1.42600 @ 20.00 °C.
Boiling Point: 211.75 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.180000 mm/Hg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 4.451 (est)
Soluble in:
 alcohol
 water, 5.056 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:12 hour(s) at 100.00 %
fresh woody bergamot citrus floral
Odor Description:at 100.00 %. fresh woody bergamot citrus floral
Luebke, William tgsc, (1985)
Odor sample from: Givaudan Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Berjé
Tetra Hydro Linalyl Acetate
Happening at Berje
Lluch Essence
TETRAHYDROLINALYL ACETATE
Moellhausen
TETRAHYDROLINALYL ACETATE
Penta International
TETRAHYDROLINALYL ACETATE, Kosher
Reincke & Fichtner
Tetrahydrolinalyl Acetate
The John D. Walsh Company
Tetrahydro Linalyl Acetate
Treatt
Tetrahydrolinalyl Acetate
Vigon International
Tetrahydrolinalyl Acetate
Odor: FRESH, FLORAL, FRUITY, DRY, SLIGHTLY HERBACEOUS
Zanos
Tetrahydrolinalol Acetate
 
Safety Information:
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 38 - Irritating to skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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:
oral-rat LD50 4000 mg/kg
Givaudan Corporation

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for tetrahydrolinalyl acetate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for tetrahydrolinalyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):20780-48-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :89385
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
3,7-dimethyloctan-3-yl acetate
Chemidplus:0020780487
 
References:
 3,7-dimethyloctan-3-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:20780-48-7
Pubchem (cid):89385
Pubchem (sid):135046942
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
TMH aldehyde
FR
balsamic
balsam ketone
FR
brachyleana hutchinsii wood oil
FR
citronella
4,8-
dimethyl-7-nonen-2-ol
FR
citrus
acetaldehyde citronellyl methyl acetal
FR
bergamot acetoacetate
FR
citronellal oxime
FR
citrus floral green fragrance
FR
citrus ocimenol
FR
citrus specialty
FR
dihydromyrcenyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
citrus
floral fragrance
FR
lime octadienal
FR
3-
methyl-4-(2-methyl butyl oxy) butyraldehyde
FR
alpha-
methylene citronellal
FR
verbena fragrance
FR
floral
butyl tiglate
FR
cassis cyclohexene
FR
cymbopogon validus leaf oil
FR
dihydromyrcene
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
eau de brouts absolute
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
gardenia acetal
FR
heather fragrance
FR
heliotrope absolute
FR
herbal pyran
FR
ho leaf oil
FR
ho wood oil
FR
karo karounde absolute
FR
lavandin concrete decolorized
FR
lavender absolute replacer
FR
lavender oil replacer
FR
muguet nitrile
FR
nonisyl propionate
FR
pelargonium graveolens flower water
FR
peony acetonitrile
FR
petitgrain concrete
FR
sambucus nigra flower oil CO2 extract
FR
undecanal dimethyl acetal
FR
fruity
fruity cyclopentanone
FR
nerolidyl isobutyrate
FR
ocimen-1-yl acetate
FR
green
iso
green methanoindene
FR
(Z)-3-
hexen-1-yl angelate
FR
(E)-2-
hexen-1-yl salicylate
FR
herbal
amber dioxepine
FR
bergamot mint herb oil
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
chamomile isobutyrate
FR
chrysanthemum ketone
FR
inula root oil
FR
lavandin flower water
FR
iso
lavandyl acetate
FR
lavender stem oil lithuania
FR
methyl cyclogeranate (Firmenich)
FR
nonisyl acetate
FR
nopyl acetate
FR
ocimene oxirane
FR
spicy
carnation absolute
FR
spicy carbonate
FR
woody
2-
decalinyl acetate
FR
iso
longifolene epoxide
FR
patchouli ethanone
FR
(Z)-
woody amylene
FR
zdravetz absolute
FR
For Flavor
No flavor group found for these
8,9-
dehydrotheaspirone
FL
floral
floral
pseudo
ionone
FL
green
(E,E)-2,4-
hexadienal
FL
 
Potential Uses:
FRbergamot
FRcitrus
FRherbal
FRlavender
FRoriental
FRrose
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,7-dimethyl octan-3-yl acetate
3,7-dimethyl-3-octanol acetate
3,7-dimethyloctan-3-yl acetate
3-octanol, 3,7-dimethyl-, acetate
 tetra hydro linalyl acetate
 tetrahydro linalyl acetate
 
 
Notes:
None found
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