二氢黄樟醇

Description

Dihydrosafrol · CAS 94-58-6 · C10H12O2. UNII 2ML63PLH7G. Boiling Point: 228 °C; Density: 1.065 at 25 °C/25 °C; Vapor Pressure: 0.05 [mmHg].

Identification

CAS Registry Number	94-58-6
PubChem CID	7197
Molecular formula	C10H12O2
IUPAC name	5-propyl-1,3-benzodioxole
UNII (FDA)	2ML63PLH7G

Computed Descriptors

Molecular Weight	164.20
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	18.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	228 °C
Density	1.065 at 25 °C/25 °C
Vapor Pressure	0.05 [mmHg]

Physical description & handling notes

• Dihydrosafrole is an oily liquid.
• Liquid
• Colorless oily liquid; [HSDB] Colorless to yellow liquid; [MSDSonline]
• Oily liquid
• Colorless liquid
• Colorless to yellowish liquid

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetics ingredient -> Fragrance
GHS notification summary	63.4% (92 / 145)

GHS Hazard Classification

GHS notification summary	63.4% (92 / 145)
Reported hazard statements	H351 (26.9%), H303, H371

Documented Uses

• Used in essential oil compositions; Formerly used as a fragrance in cosmetics and a flavoring agent in root beer; Used outside the US to make piperonyl butoxide; [HSDB]
• FRAGRANCE IN COSMETICS (FORMER USE); FLAVORING AGENT IN ROOT BEER (FORMER USE); CHEM INT FOR PIPERONYL BUTOXIDE (NON-USA USE).
• In public use since the 1950s. Use if fragrances in the USA amounts to less than 2000 lb/yr.
• Table: Concentration in final product (%) [Table#4304]
• Not Known or Reasonably Ascertainable
• Cosmetics product ingredient: Dihydrosafrole

Synonyms

Dihydrosafrole; 5-Propyl-1,3-benzodioxole; 94-58-6; Safrole, dihydro-; 1,3-Benzodioxole, 5-propyl-; 2',3'-Dihydrosafrole; 1,2-(METHYLENEDIOXY)-4-PROPYLBENZENE; 4-Propyl-1,2-methylenedioxybenzene; 2ML63PLH7G; Benzene, 1,2-methylenedioxy-4-propyl-; NSC-27867; DTXSID7020475; RefChem:133927; DTXCID30475; 202-344-9; Dihydrosafrol

Frequently Asked Questions

What are the CAS number and molecular formula of Dihydrosafrol?

CAS 94-58-6; molecular formula C10H12O2; molecular weight — g/mol.

What other names is Dihydrosafrol known by?

Dihydrosafrole, 5-Propyl-1,3-benzodioxole, 94-58-6, Safrole, dihydro-, 1,3-Benzodioxole, 5-propyl-, 2',3'-Dihydrosafrole.

What is the regulatory status of Dihydrosafrol?

Documented regulatory listings: CIR / INCI: Cosmetics ingredient -> Fragrance.

Is Dihydrosafrol classified as hazardous?

63.4% of GHS notifications report no hazard classification (92 of 145).

What are the key physical properties of Dihydrosafrol?

Boiling Point: 228 °C; Density: 1.065 at 25 °C/25 °C; Vapor Pressure: 0.05 [mmHg].

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.