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dehydro beta-linalool

Chemical Structure

General Material Information

Preferred name dehydro beta-linalool
Trivial Name Dehydrolinalool
Short Description beta-dehydrolinalool
Formula C10 H16 O
CAS Number 29171-20-8
Deleted CAS Number 5663-88-7
ECHA Number 249-482-6
FDA UNII L06OT2435M
Nikkaji Number J37.640J
xLogP3-AA 2.20 (est)
NMR Predictor External link
FDA Mainterm 29171-20-8 ; (E)-3,7-DIMETHYL-1,5,7-OCTATRIEN-3-OL
Synonyms
  • cyclo musk
  • dehydro-beta-linalool
  • beta- dehydrolinalool
  • 3,7-dimethyl oct-6-en-1-yn-3-ol
  • 3,7-dimethyl-6-octen-1-yn-3-ol
  • 3,7-dimethyl-oct-6-en-1-yn-3-ol
  • 3,7-dimethyloct-6-en-1-yn-3-ol
  • 6-octen-1-yn-3-ol, 3,7-dimethyl-
  • 3,7-dimethyloct-6-en-1-yn-3-ol
  • 6-Octen-1-yn-3-ol, 3,7-dimethyl-
  • Linalool, dehydro-
  • 3,7-Dimethyl-6-octen-1-yn-3-ol
  • β-Linalool, dehydro-
  • 3,7-Dimethyl-3-hydroxy-6-octen-1-yne
  • Dehydrolinalool
  • 2,6-Dimethyl-2-octen-7-yn-6-ol
  • Dehydro-β-linalool
  • 3-Hydroxy-3,7-dimethyl-oct-6-en-1-yne

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.23672485352
Melting Point -58 to -56°C @ 760 mm Hg
Boiling Point 198 to 199°C @ 760 mm Hg
Vapor Pressure 8.34 mmHg @ 20 °C
Flash Point TCC Value 85 °C TCC
logP (o/w) 2.61
Solubility
alcohol Yes
water, 1084 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Musk
sweet, musk, waxy, ambrette, dry, woody
Odor strength medium
Substantivity 140 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. sweet musk waxy ambrette dry woody

Potential Uses

Applications
Odor purposes Floral , Herbal , Musk , Woody

Safety Information

Safety information

European information :
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 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 1700 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0543729

intraperitoneal-mouse LD50 200 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0543729

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
maximum skin levels for fine fragrances:
0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).
Recommendation for dehydro beta-linalool usage levels up to:
1.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.0200 %
Dermal Systemic Exposure in Cosmetic Products:
0.0005 mg/kg/day

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):29171-20-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62842
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
3,7-dimethyloct-6-en-1-yn-3-ol
Chemidplus:0029171208