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L-Citronellol

L-Citronellol structure

CAS No:
7540-51-4
Formula:
C10H20O
Chemical Name:
L-Citronellol
Synonyms:
6-Octen-1-ol,3,7-dimethyl-,(3S)-;6-Octen-1-ol,3,7-dimethyl-,(-)-;6-Octen-1-ol,3,7-dimethyl-,(S)-;(3S)-3,7-Dimethyl-6-octen-1-ol;l-Citronellol;(-)-Citronellol;(S)-(-)-Citronellol;(S)-Citronellol;(S)-β-Citronellol;(S)-(-)-β-Citronellol;(-)-(S)-Citronellol;(-)-β-Citronellol;L-Citronellol;(S)-3,7-Dimethyl-6-octen-1-ol;(3S)-3,7-Dimethyloct-6-en-1-ol
Categories:
Cosmetic Ingredient > Perfuming

Description

Clear Colorless Liquid

(S)-(-)-citronellol is a citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3S-enantiomer). It is an enantiomer of a (R)-(+)-citronellol.

L-Citronellol Basic Attributes

Molecular Weight：

156.27

Exact Mass：

156.27

EC Number：

231-415-7

UNII：

8RSY5Y5658

DSSTox ID：

DTXSID1041550

HScode：

2905290000

Characteristics

PSA：

20.2

XLogP3：

3.2

Appearance：

colourless liquid

Density：

0.854

Melting Point：

77-83ºC(lit.)

Boiling Point：

120 °C @ Press: 16 Torr

Flash Point：

210 °F

Refractive Index：

1.45

Water Solubility：

105.5 mg/L @ 25 °C (est)

Storage Conditions：

2-8°C

Vapor Pressure：

~0.02 mm Hg ( 25 °C)

Toxicity：

LD50 orally in Rabbit: 3450 mg/kg LD50 dermal Rabbit 2650 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

RH3404000

Marks：

Stability/Shelf Life：

Stable. Incompatible with oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 391 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

L-Citronellol Use and Manufacturing

Uses

L-Citronellol as fragrance ingredient.

Manufacturing Info：

6-Octen-1-ol, 3,7-dimethyl-, (3S)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:156.26
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:156.151415257
Monoisotopic Mass:156.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:112
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of L-Citronellol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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L-Citronellol

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