Isooctyl mercaptoacetate

Description

Isooctyl mercaptoacetate · CAS 25103-09-7 · C10H20O2S. UNII 3404M9ZDTB. Boiling Point: 125 °C @ 17 mm Hg; Boiling Point: BP: 80-88 °C (6 kPa); Density: 0.9736 @ 25 °C.

Identification

CAS Registry Number	25103-09-7
PubChem CID	34306
Molecular formula	C10H20O2S
IUPAC name	6-methylheptyl 2-sulfanylacetate
UNII (FDA)	3404M9ZDTB

Computed Descriptors

Molecular Weight	204.33
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	204.11840105
Monoisotopic Mass	204.11840105
Topological Polar Surface Area	27.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	125 °C @ 17 mm Hg
Boiling Point	BP: 80-88 °C (6 kPa)
Density	0.9736 @ 25 °C
Density	Density: 1.04 kg/l @ 20 °C
Formulations/Preparations	Grade: 99% (min purity)

Physical description & handling notes

• Liquid
• Water-white liquid with a mild fruity odor; [Hawley] Colorless or pale yellow liquid; [HSDB] Clear white liquid; [Aldrich MSDS]
• Clear, water-white liquid
• Water-white liquid
• Colorless or pale yellow liquid
• Faint fruity odor

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic ingredients (Isooctyl Thioglycolate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Hair waving or straightening

GHS Hazard Classification

Reported hazard statements	H302 (85.3%), H317 (84.9%), H319 (14.7%), H400 (84.9%), H410 (51.6%), H412 (15.1%)

Documented Uses

• CIR ingredient: Isooctyl Thioglycolate
• Used in antioxidants, fungicides, oil additives, plasticizers, insecticides, stabilizers, and polymerization modifiers; Also used as a stabilizer (tin-sulfur compounds) and stripping agent (polysulfide rubber); [Hawley]
• Antioxidants, fungicides, oil additives, plasticizers, insecticides, stabilizers, polymerization modifiers, stabilizer in tin-sulfur compounds, stripping agent for polysulfide rubber.
• Cosmetics -> Hair waving or straightening
• Isoctanol + thioglycollic acid (esterification)
• All Other Chemical Product and Preparation Manufacturing

Synonyms

ISOOCTYL THIOGLYCOLATE; 25103-09-7; Isooctyl mercaptoacetate; Acetic acid, mercapto-, isooctyl ester; Isooctyl 2-mercaptoacetate; 3404M9ZDTB; HSDB 2704; Mercaptoacetic acid, isooctyl ester; NSC 9590; EINECS 246-613-9; Acetic acid, 2-mercapto-, isooctyl ester; AI3-26088; EC 246-613-9; NSC-9590; ISOOCTYL THIOGLYCOLATE [HSDB]; ISOOCTYL ALCOHOL, MERCAPTOACETATE

Frequently Asked Questions

What are the CAS number and molecular formula of Isooctyl mercaptoacetate?

CAS 25103-09-7; molecular formula C10H20O2S; molecular weight — g/mol.

What other names is Isooctyl mercaptoacetate known by?

ISOOCTYL THIOGLYCOLATE, 25103-09-7, Isooctyl mercaptoacetate, Acetic acid, mercapto-, isooctyl ester, Isooctyl 2-mercaptoacetate, 3404M9ZDTB.

What is the regulatory status of Isooctyl mercaptoacetate?

Documented regulatory listings: CIR / INCI: Cosmetic ingredients (Isooctyl Thioglycolate) -> CIR (Cosmetic Ingredient Review); CIR / INCI: Hair waving or straightening.

Is Isooctyl mercaptoacetate classified as hazardous?

Hazard statements reported: H302, H317, H319, H400, H410.

What are the key physical properties of Isooctyl mercaptoacetate?

Boiling Point: 125 °C @ 17 mm Hg; Boiling Point: BP: 80-88 °C (6 kPa); Density: 0.9736 @ 25 °C; Density: Density: 1.04 kg/l @ 20 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.