LINALYL ACETATE CAS N°: 115-95-7 - inchem.org

1 OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 1 FOREWORD INTRODUCTION LINALYL ACETATE CAS N : 115-95-7 OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 2 SIDS Initial Assessment Report ForSIAM 14 Paris, France, 26-28 March 2002 1. chemical Name: LINALYL ACETATE 2. CAS Number: 115-95-73. Sponsor Country: Switzerland National SIDS Contact Point in Sponsor Country: Dr. Georg Karlaganis Swiss Agency for the Environment, Forests and Landscape CH-3003 Berne, Switzerland e-mail: 4. Shared Partnership with: 5. Roles/Responsibilities of the Partners: x Name of industry sponsor /consortium x Process used 6.

2 Sponsorship History x How was the chemical or category brought into the OECD HPV Chemicals Programme ? This substance is evaluated under the OECD HPV programme and is submitted for first discussion at SIAM 14. 7. Review Process Prior to the SIAM: 8. Quality check process: 9. Date of Submission: May 2002 10. Date of last Update: 11. Comments: No testing (X) Testing ( ) OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 3 SIDS INITIAL ASSESSMENT PROFILECAS Name LINALYL ACETATE Structural Formula OORECOMMENDATIONS The chemical is currently of low priority for further CONCLUSIONS OF THE SIAR Human Health LINALYL ACETATE is of very low acute toxicity to mammals, the acute oral LD50 is >13,360 mg/kg, while the inhalation LC50 is >2740 mg/m3.

3 LINALYL ACETATE has no or a very low potential to irritate the human skin. No information on possible eye irritation is available. Based on the use of LINALYL ACETATE in cosmetics (constituent of perfumes) it is doubted that the substance has significant sensitising properties. LINALYL ACETATE is an ester that is expected to be hydrolysed to linalool and acetic acid in the gastro-intestinal tract. The main effects of the hydrolysis product, linalool ( ), in a 28-day oral rat study were increased liver and kidney weight, thickened liver lobes and pale areas on the kidneys and in females only hepatocellular cytoplasmic vacuolisation.

4 Other findings were related to local irritation of the gastro-intestinal tract. Based on the effects on liver and kidney a NOAEL of 160 mg/kg bw/d was derived for linalool (equivalent to 148 mg/kg bw/d LINALYL ACETATE ). In this study no effects on male and female gonads were found. Linalool ( ) was tested in a reproduction screening test (non-OECD). The NOAEL for maternal toxicity based on clinical signs and effects on body weight and food consumption was 500 mg/kg bw/d for linalool (equivalent to 464 mg/kg bw/d LINALYL ACETATE ). The NOAEL on reproduction toxicity and developmental toxicity is 500 mg/kg bw/d (equivalent to 464 mg/kg bw/d LINALYL ACETATE ) based on the decreased litter size at birth and pup morbidity/mortality thereafter.

5 LINALYL ACETATE does not induce gene mutations or chromosomal effects in vitro. Environment LINALYL ACETATE is a liquid with a vapour pressure of Pa (at 25 C), a water solubility of 30 mg/L and a Log Kowof (measured). It has a calculated half-life for photo-oxidation of hours. LINALYL ACETATE will partition primarily to water (Mackay level III modelling). In a hydrolysis study LINALYL ACETATE was found to disappear from the test medium within hours at pH 4, 7 and 9 (at 50qC) (t1/2 < 24 hours at 20qC).Hydrolysis products are linalool and acetic acid. LINALYL ACETATE is readily biodegradable.

6 Based on the log Kow a BCF of 412 was calculated. LINALYL ACETATE has potential for sorption to soil (predicted log Koc ), however, in view of the rapid hydrolysis of the substance it is unlikely that significant uptake or sorption may occur. OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 4 LINALYL ACETATE is toxic to fish and daphnia. All values are based on measurements of the parent compound, which is expected to hydrolyse very quickly. The 96-hour LC50 in fish is 11 mg/L. The 48-hour EC50 for daphnia is mg/L. In a test with algae (Scenedesmus subspicatus, 72-hours exposure), a reduction of biomass was seen at mg/L and above.

7 The 72-hour EbC50 was mg/L, the ErC50 was 16 mg/L). The EC50 for the inhibition of micro-organisms is 415 mg/L (ethanol was used as dispersant). Exposure The market for LINALYL ACETATE is 1000-5000 tonnes. It is used as an intermediate and can be found in consumer products as soaps, cleaning products, cosmetics (perfume), oil paint and extracts. LINALYL ACETATE is a food additive. Foodstuffs contain between (soft drinks) and 13 ppm (chewing gum) LINALYL ACETATE . There is a potential for occupational exposure. Consumers may be exposed orally and dermally. There is potential exposure to the aquatic compartment arising from the production/formulation and consumer use of this substance.

8 NATURE OF FURTHER WORK RECOMMENDED No further work recommended, because this molecule hydrolyzes rapidly. OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 5 SIDS Initial Assessment Report 1 IDENTITY Identification of the Substance CAS Number: 115-95-7 EINECS Number 204-116-4 chemical Name 3,7-dimethyl-1,6-octadien-3-yl ACETATE IUPAC Name: 1,5-dimethyl-1-vinylhex-4-enyl ACETATE Molecular Formula: C12H20O2 Structural Formula*: OOMolecular Weight: Synonyms: LINALYL ACETATE , linalool ACETATE , acetic acid linalool ester * The compound is a chiral molecule. No data on differences between the enantiomers are available.

9 Purity/Impurities/Additives Purity >96% Physico- chemical properties LINALYL ACETATE (CAS no. 115-95-7 ) is a liquid having the following physical chemical properties and characteristics, which have been obtained from various reference sources including company substance documentation and handbook data. OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 6 Table 1 Summary of physico- chemical properties Property Value Physical state Liquid Melting point <0qCBoiling point 220qC at 1013 hPa Relative density (20qC ) Vapour pressure Pa (20qC ) Water solubility 30 mg/L (room temperature) (ref.)

10 34) Partition coefficient n-octanol/water (log value) log Kow (ref. 3) Solubility in organic solvents Soluble in ethanol and diethyl ether Flash point 84-85qCThe value for water solubility could not be checked for validity due to the limited information available. However, the result of the test is supported by model calculations with the Syracuse programme (21 mg/L) and the maximum concentrations (~27 mg/L) in the flow-through fish test (ref. 13).OECD SIDS LINALYL ACETATE UNEP PUBLICATIONS 72 GENERAL INFORMATION ON EXPOSURE Estimated Production or Import Volume Yearly around 1000-5000 tonnes of LINALYL ACETATE are produced.