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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Description of key information

Available data on acute oral toxicity:
- isovaleraldehyde (CAS 590-86-3): LD50 = 5740 mg/kg bw in rats (BASF, 1974)
- 3-Buten-1-ol, 3-methyl- (CAS 763-32-6): LD50 > 5440 mg/kg bw in rats (BASF, 1968)
- 3-Methyl-butandiol-1,3 (CAS 2568-33-4): LD50 > 5000 mg/kg bw in rats (BASF, 1979; read across to 3-methyl-1-butanol (CAS 123-51-3))
- Rose oxide (EC 939-429-1): LD50 > 2000 mg/kg bw (Symrise, 2001; read across for DHP1, DHP2 and DHP3)
- 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)- (CAS 63500-71-0): LD50 > 2000 mg/kg bw in rats (Givaudan, 1992)
- isoprene (CAS 78-79-5): LD50 = 2125 mg/kg bw in rats (cited in OECD SIDS Dossier Isoprene, 2006)
Available data on acute inhalation toxicity:
- isovaleraldehyde (CAS 590-86-3): LC50 = 42.7 mg/L in rats (Carpenter, 1974)
- 3-Buten-1-ol, 3-methyl- (CAS 763-32-6): LC0 = 21.5 mg/l (saturated atmosphere at 20 °C, 8 h) in rats (BASF, 1968)
- 3-Methyl-butandiol-1,3 (CAS 2568-33-4): LC0 = 11.05 mg/L air (saturated vapour, 7h) in rats (BASF, 1981; read across to 3-methyl-1-butanol (CAS 123-51-3)). EU classification according to Annex VI of Directive 67/548/EEC: Xn, Harmful by inhalation; GHS classification (REGULATION (EC) No 1272/2008 (CLP)): legal classification H332 Harmful if inhaled, Acute tox. inhalation Cat. 4
- isoprene (CAS 78-79-5): LC50 = 158 mg/L air in mice (cited in OECDSIDS Dossier Isoprene, 2006)
Available data on acute dermal toxicity:
- isovaleraldehyde (CAS 590-86-3): LD50 = 2534 mg/kg bw in rabbits (Carpenter, 1974)
- 3-Methyl-butandiol-1,3 (CAS 2568-33-4): LD50 approx. 3216 mg/kg bw in rabbits (Smyth, 1969; read across to 3-methyl-1-butanol (CAS 123-51-3))
- Rose oxide (EC 939-429-1): LD50 > 5000 mg/kg (Moreno 1973; read across for DHP1, DHP2 and DHP3)
- 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)- (CAS 63500-71-0): LD50 > 2000 mg/kg bw in rabbits (Firmenich, 1985)
- isoprene (CAS 78-79-5): LD50 > 681 mg/kg bw in rats (cited in OECD SIDS Dossier Isoprene, 2006)

Key value for chemical safety assessment

Additional information

Justification for classification or non-classification

The present data on acute oral, inhalation and dermal toxicity do not fulfill the criteria laid down in 1999/45/EG and regulation (EU) 1272/2008, and therefore, a non-classification is warranted. According to UN-GHS, the UVCB substance Reaction products of 3-methylbutanal and 3-methylbut-3-en-1-ol, distillation overheads, acid-treated needs to be classified as acute oral toxicant (Category 5).