1-庚硫醇

Description

1-Heptanethiol · CAS 1639-09-4 · C7H16S. UNII 380ZE61GR2. Boiling Point: 351 °F at 760 mmHg (NIOSH, 2024); Boiling Point: 175.00 °C. @ 765.00 mm Hg; Boiling Point: 176 °C.

Identification

CAS Registry Number	1639-09-4
PubChem CID	15422
Molecular formula	C7H16S
IUPAC name	heptane-1-thiol
UNII (FDA)	380ZE61GR2
FEMA number	4259
JECFA number	1663

Computed Descriptors

Molecular Weight	132.27
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	132.09727168
Monoisotopic Mass	132.09727168
Topological Polar Surface Area	1
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	351 °F at 760 mmHg (NIOSH, 2024)
Boiling Point	175.00 °C. @ 765.00 mm Hg
Boiling Point	176 °C
Boiling Point	175-176 °C
Boiling Point	351 °F
Melting Point	-46 °F (NIOSH, 2024)
Melting Point	-43 °C
Melting Point	-46 °F
Flash Point	115 °F (NIOSH, 2024)
Flash Point	46 °C

Physical description & handling notes

• 1-heptanethiol is a colorless liquid with a strong unpleasant odor. Mp: -41.3 °C; bp: 177 °C. Density: 0.84 g cm-3. Insoluble in water.
• Colorless liquid with a strong odor; [NIOSH]
• Liquid
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• Colourless liquid; Onion aroma
• Colorless liquid with a strong odor.

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (100%), H315 (14.7%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

1-HEPTANETHIOL; heptane-1-thiol; Heptyl mercaptan; n-Heptylmercaptan; Heptylthiol; Heptyl thiol; 1-heptylthiol; n-HEPTYL MERCAPTAN; USAF EK-2122; UNII-380ZE61GR2; Normal-heptyl mercaptan; BRN 1731687; 380ZE61GR2; EINECS 216-678-8; NSC 71119; FEMA NO. 4259

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Heptanethiol?

CAS 1639-09-4; molecular formula C7H16S; molecular weight — g/mol.

What other names is 1-Heptanethiol known by?

1-HEPTANETHIOL, heptane-1-thiol, Heptyl mercaptan, n-Heptylmercaptan, Heptylthiol, Heptyl thiol.

What is the regulatory status of 1-Heptanethiol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 1-Heptanethiol classified as hazardous?

Hazard statements reported: H226, H315.

What are the key physical properties of 1-Heptanethiol?

Boiling Point: 351 °F at 760 mmHg (NIOSH, 2024); Boiling Point: 175.00 °C. @ 765.00 mm Hg; Boiling Point: 176 °C; Boiling Point: 175-176 °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.