反式橙花叔醇

Description

trans-nerolidol · CAS 40716-66-3 · C15H26O. UNII FG5V0N8P2H. Boiling Point: 275-277 °C; Density: 0.872-0.879; Refractive Index: 1.478-1.483.

Identification

CAS Registry Number	40716-66-3
PubChem CID	5284507
Molecular formula	C15H26O
IUPAC name	(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
UNII (FDA)	FG5V0N8P2H
FEMA number	2772
JECFA number	1646

Computed Descriptors

Molecular Weight	222.37
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	275-277 °C
Density	0.872-0.879
Refractive Index	1.478-1.483

Physical description & handling notes

• Liquid
• Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma
• Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fir, Linoleum, Pine No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 2148)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 2148)
Reported hazard statements	H317 (11.1%), H319 (87.4%), H400 (34.2%), H410 (99.9%), H315 (11.7%), H335 (11.7%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 1 consumer products that contain Nerolidol in the following categories is provided:
• Information on 3 consumer products that contain Nerolidol Isomers in the following categories is provided:
• All Other Chemical Product and Preparation Manufacturing
• 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-: ACTIVE

Synonyms

NEROLIDOL; 7212-44-4; (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; Stirrup; FEMA No. 2772; 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene; CHEBI:7524; DTXCID602247; QR6IP857S6; (Z)-Nerolidol; DTXSID3022247; nerodilol; FCI-119B; RefChem:832382; 205-540-2

Frequently Asked Questions

What are the CAS number and molecular formula of trans-nerolidol?

CAS 40716-66-3; molecular formula C15H26O; molecular weight — g/mol.

What other names is trans-nerolidol known by?

NEROLIDOL, 7212-44-4, (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, Stirrup, FEMA No. 2772.

What is the regulatory status of trans-nerolidol?

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

Is trans-nerolidol classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 2148).

What are the key physical properties of trans-nerolidol?

Boiling Point: 275-277 °C; Density: 0.872-0.879; Refractive Index: 1.478-1.483.

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.