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(S)-rhodinol

Chemical Structure

General Material Information

Preferred name (S)-rhodinol
Trivial Name Rhodinol
Short Description (-)-rhodinol
Formula C10 H20 O
CAS Number 6812-78-8
FEMA Number 2980
Flavis Number 2.027
ECHA Number 229-887-4
FDA UNII 1V437W60X9
Nikkaji Number J40.457H
COE Number 76
xLogP3-AA 3.50 (est)
NMR Predictor External link
JECFA Food Flavoring 1222 (-)-rhodinol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • (-)-alpha- citronellol
  • (S)-a- citronellol
  • (S)-3,7-dimethyl-7-octen-1-ol
  • (S3)-3,7-dimethyl-7-octen-1-ol
  • S-(-)-3,7-dimethyl-7-octen-1-ol
  • (S)-3,7-dimethyl-7-octenol
  • (3S)-3,7-dimethyloct-7-en-1-ol
  • 7-octen-1-ol, 3,7-dimethyl-, (3S)-
  • 7-octen-1-ol, 3,7-dimethyl-, (S)-
  • (-)- rhodinol
  • rhodinol ex geranium china
  • rhodinol ex-citronella
  • rhodinol flavor type natural
  • rhodinol natural
  • (3S)-3,7-dimethyloct-7-en-1-ol
  • 7-Octen-1-ol, 3,7-dimethyl-, (3S)-
  • 7-Octen-1-ol, 3,7-dimethyl-, (S)-
  • Rhodinol
  • (3S)-3,7-Dimethyl-7-octen-1-ol
  • α-Citronellol, (-)-
  • (-)-Rhodinol
  • (-)-α-Citronellol
  • (S)-α-Citronellol

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 156.26860046387
Specific gravity @ 25 °C
Pounds per Gallon 7.156 to 7.322
Refractive Index 1.463 to 1.473 @ 20 °C
Boiling Point 222 to 223°C @ 760 mm Hg
Vapor Pressure 0.02 mmHg @ 25 °C
Flash Point TCC Value 82.22 °C TCC
logP (o/w) 3.24 est
Solubility
alcohol Yes
water, 181.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, rose red rose, fruity, metallic
Odor strength medium
Substantivity 208 hour(s) at 100.00 %
General comment At 100.00 %. floral red rose fruity metallic

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
R 43 - May cause sensitisation by skin contact.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 37 - Wear suitable gloves.
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:
oral-rat LD50 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 113S, 1992.

intramuscular-mouse LD50 4000 mg/kg
Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.

oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 113S, 1992.

Dermal Toxicity:
skin-rabbit LD50 3600 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 113S, 1992.

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
IFRA Critical Effect:
Dermal sensitization
View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
2.20 %
Category 2: Products applied to the axillae
0.67 %
Category 3: Products applied to the face/body using fingertips
13.00 %
Category 4: Products related to fine fragrance
12.00 %
Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
3.20 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
3.20 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
3.20 %
Category 5D: Baby Creams, baby Oils and baby talc
3.20 %
Category 6: Products with oral and lip exposure
7.30 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
25.00 %
Category 7B: Leave-on products applied to the hair with some hand contact
25.00 %
Category 8: Products with significant anogenital exposure
1.30 %
Category 9: Products with body and hand exposure, primarily rinse off
24.00 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
87.00 %
Category 10B: Household aerosol/spray products
87.00 %
Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
48.00 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
48.00 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Maximised Survey-derived Daily Intakes (MSDI-EU): 13.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 8.40 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -8.10000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -31.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: -2.90000
granulated sugar: --
gravies: --
hard candy: -7.60000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.92000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):6812-78-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :81263
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(3S)-3,7-dimethyloct-7-en-1-ol
Chemidplus:0006812788