3-mercaptooctanal

General Material Information

Preferred name	3-mercaptooctanal
Trivial Name	3-sulfanyloctanal
Short Description	octanal, 3-mercapto-
Formula	C8 H16 O S
CAS Number	473438-39-0
FDA UNII	4PRF1QK2S4
Nikkaji Number	J1.843.512H
xLogP3-AA	2.30 (est)
NMR Predictor	External link
Synonyms	octanal, 3-mercapto- 3-sulfanyl octanal 3-sulfanyloctanal

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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
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	160.27972412109
Specific gravity	@ 25 °C
Pounds per Gallon
Vapor Pressure	0.099 mmHg @ 25 °C
Flash Point TCC Value	88.33 °C TCC
logP (o/w)	2.848 est
Solubility
alcohol	Yes
water, slightly	Yes
water, 371.7 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Citrus
citrus, fruity, peely, grapefruit, green
General comment	At 0.10 % in propylene glycol. citrus fruity peely grapefruit green

Safety Information

Safety information


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:
flavoring agents
Recommendation for 3-mercaptooctanal usage levels up to:
	not for fragrance use.

Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I

Safety references

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

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View

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EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :527442

National Institute of Allergy and Infectious Diseases:Data

3-sulfanyloctanal

Chemidplus:0473438390