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

(R)-(+)-beta-citronellol
D-dihydrogeraniol

Supplier Sponsors

Name:(3R)-3,7-dimethyloct-6-en-1-ol
CAS Number: 1117-61-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-250-5
FDA UNII:P01OUT964K
Nikkaji Web:J67.959C
Beilstein Number:1721506
MDL:MFCD00063215
XlogP3-AA:3.20 (est)
Molecular Weight:156.26860000
Formula:C10 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and 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 to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85700 @ 25.00 °C.
Refractive Index:1.45600 @ 20.00 °C.
Boiling Point: 221.00 to 224.00 °C. @ 760.00 mm Hg
Boiling Point: 112.00 to 113.00 °C. @ 12.00 mm Hg
Vapor Pressure:0.018000 mm/Hg @ 25.00 °C. (est)
Flash Point: 213.00 °F. TCC ( 100.56 °C. )
logP (o/w): 3.239 (est)
Soluble in:
 alcohol
 water, 105.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
citronella rose leafy oily petal
Odor Description:at 100.00 %. citronella oil rose leaf oily petal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
 
Suppliers:
ExtraSynthese
For experimental / research use only.
(+)-Citronellol (GC) ≥98%
Penta International
R-(+)-B-CITRONELLOL
Santa Cruz Biotechnology
For experimental / research use only.
(R)-(+)-b-Citronellol
Sigma-Aldrich: Aldrich
For experimental / research use only.
(R)-(+)-beta-Citronellol 98%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
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)
0.80 % (1)
Category 2:  1.10 %
Category 3:  4.40 %
Category 4:  13.30 %
Category 5:  7.00 %
Category 6:
See Note (1)
21.40 % (1)
Category 7:  2.20 %
Category 8:  2.00 %
Category 9:  5.00 %
Category 10:  2.50 %
Category 11: See Note (2)
 Notes:
 

(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.

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
Cancer Citations:Search
EPA Substance Registry Services (TSCA):1117-61-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101977
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:1
(3R)-3,7-dimethyloct-6-en-1-ol
Chemidplus:0001117619
RTECS:RH3400000 for cas# 1117-61-9
 
References:
Leffingwell:Chirality or Article
 (3R)-3,7-dimethyloct-6-en-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1117-61-9
Pubchem (cid):101977
Pubchem (sid):135058385
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C09849
HMDB (The Human Metabolome Database):HMDB35093
Export Tariff Code:2905.22.5010
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
aldehydic
tridecanal
FL/FR
citrus
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
lemon balm fragrance
FR
melissa oil replacer
FR
floral
cassis buteneone
FR
delta-
damascone
FL/FR
dewy propionate
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
geranium specialty
FR
geranyl acetone
FL/FR
geranyl propionate
FL/FR
hyacinth acetals
FL/FR
jasmin lactone (IFF)
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
2-
phenethyl valerate
FL/FR
rose petal acetate
FR
ylang ylang flower oil
FL/FR
ylang ylang flower oil CO2 extract
FL/FR
ylang ylang flower oil I
FL/FR
ylang ylang flower oil II
FL/FR
ylang ylang flower oil III
FL/FR
green
green ether
FL/FR
magnolia flower oil
FL/FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
octanal dimethyl acetal
FL/FR
phenethyl tiglate
FL/FR
violet leaf absolute
FL/FR
oily
petal pyranone
FL/FR
waxy
geranyl undecylenate
FR
methyl myristate
FL/FR
For Flavor
No flavor group found for these
jasmin lactone (IFF)
FL/FR
magnolia flower oil
FL/FR
methyl myristate
FL/FR
2-
phenethyl valerate
FL/FR
aromatic
aromatic
hyacinth acetals
FL/FR
floral
geranyl acetone
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
ylang ylang flower oil
FL/FR
ylang ylang flower oil CO2 extract
FL/FR
ylang ylang flower oil I
FL/FR
ylang ylang flower oil II
FL/FR
ylang ylang flower oil III
FL/FR
green
green ether
FL/FR
octanal dimethyl acetal
FL/FR
phenethyl tiglate
FL/FR
violet leaf absolute
FL/FR
oily
petal pyranone
FL/FR
waxy
geranyl propionate
FL/FR
tridecanal
FL/FR
woody
delta-
damascone
FL/FR
 
Potential Uses:
FRfloral
FRgeranium
FRlilac
FRlily
FRrose
 
Occurrence (nature, food, other):note
 cumin black cumin
Search Trop Picture
 
Synonyms:
(R)-(+)-citronellol
(R)-(+)-beta-citronellol
R-(+)-b-citronellol
D-dihydrogeraniol
dextro-dihydrogeraniol
(R)-3,7-dimethyl oct-6-en-1-ol
(3R)-3,7-dimethyl-6-octen-1-ol
(R)-3,7-dimethyl-6-octen-1-ol
(3R)-3,7-dimethyloct-6-en-1-ol
(R)-3,7-dimethyloct-6-en-1-ol
6-octen-1-ol, 3,7-dimethyl-, (3R)-
6-octen-1-ol, 3,7-dimethyl-, (R)-
 
 
Notes:
Constit. of black cumin (Nigella sativa) seeds. A common constit. of plant oils, esp. in the Rutaceae
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