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Guaiol acetate

Guaiol acetate structure

CAS No:
134-28-1
Formula:
C17H28O2
Chemical Name:
Guaiol acetate
Synonyms:
5-Azulenemethanol,1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-,5-acetate,(3S,5R,8S)-;5-Azulenemethanol,1,2,3,4,5α,6,7,8-octahydro-α,α,3β,8β-tetramethyl-,acetate;5-Azulenemethanol,1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-,acetate,[3S-(3α,5α,8α)]-;5-Azulenemethanol,1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-,acetate,(3S,5R,8S)-;Guaiac acetate;Guaiyl acetate;Guaiol acetate;NSC 46160;17431-48-0
Categories:
Cosmetic Ingredient > Perfuming

Description

Guaiol acetate has a faint but lasting rose odor and sweet taste suggestive of currant. It is not very stable.Guaiol acetate has a faint but lasting rose odor and a sweet taste suggestive of currant. It is not very stable. Guaiol acetate may be synthesized by acetylation of guaiol, which is one of the constituents of the essential oil from guaiac wood.

Guaiol acetate Basic Attributes

Molecular Weight：

264.4

Exact Mass：

264.40

EC Number：

205-135-0

DSSTox ID：

DTXSID7051684

Characteristics

PSA：

26.30000

XLogP3：

4.49080

Density：

0.977 g/mL at 25 °C(lit.)

Boiling Point：

242 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.4905(lit.)

Water Solubility：

0.0908 mg/L @ 25 °C (est)

Vapor Pressure：

0.000134mmHg at 25°C

Toxicity：

Both the acute oral UD 50 value in rats and the acute dermal LD 50 value in rabbits exceeded 5 g/kg (Moreno, 1973).

Safety Information

wgk germany：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1592 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Guaiol acetate Use and Manufacturing

Manufacturing Info：

5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, 5-acetate, (3S,5R,8S)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:264.4
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:264.208930132
Monoisotopic Mass:264.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:19
Complexity:392
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Guaiol acetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Guaiol acetate

SDS

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