(Z, Z)-farnesol

(Z, Z)-farnesol
Compound Structure:
Synonyms: cis,cis-Farnesol;(Z,Z)-farnesol;cis-Farnesol;(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;(2-cis,6-cis)-farnesol;z,z-farnesol;Farnesol, (2Z,6Z)-;2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2Z,6Z)-;3,7,11-Trimethyldodeca-2-cis,6-cis,10-trien-1-ol
Compound ID: NMPC-076
PubChem ID:

1549107
Molecular Formula: C15H26O
Canonical SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
InChIKey: CRDAMVZIKSXKFV-FBXUGWQNSA-N
About the compound:

This colorless liquid is derived from plant oils, including citronella, neroli, cyclamen, and tuberose. It serves as an intermediate in the biological synthesis of cholesterol from mevalonic acid in vertebrates. With a delicate fragrance, it is a valued ingredient in the field of perfumery.

GHS Hazard Statements

• H315 (99.41%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (83.95%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (84.94%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H400 (12.46%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (13.64%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

7

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

265

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Farnesolis a colorless liquid with a delicate floral odor. (NTP, 1992)

Boiling Point

230 to 235 °F at 760 mmHg (NTP, 1992)

Melting Point

< 25 °C

Solubility 

Slightly yellow liquid

Vapor Pressure

0.0000394 [mmHg]

Source: PubChem
Source Species: Acalypha segetalis
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