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Aurantiol

Aurantiol structure

CAS No:
89-43-0
Formula:
C18H27NO3
Chemical Name:
Aurantiol
Synonyms:
Benzoic acid,2-[(7-hydroxy-3,7-dimethyloctylidene)amino]-,methyl ester;Anthranilic acid,N-(7-hydroxy-3,7-dimethyloctylidene)-,methyl ester;Aurantiol;Aurantium;Hydroxycitronellylidene methyl anthranilate;Hydroxycitronellal methyl anthranilate;NSC 78483;Aurantion;Aurantine;61792-01-6
Categories:
Cosmetic Ingredient > Perfuming

Description

Viscous, colorless, or faintly yellow liquid; sweet lily-type odor.Soluble in alcohol (50%), fixed oils; slightly soluble in water, glycerol, and mineral oil. Combustible.

Liquid

Aurantiol Basic Attributes

Molecular Weight：

305.41

Exact Mass：

305.41

EC Number：

201-908-1

NSC Number：

78483

DSSTox ID：

DTXSID0044579

HScode：

2925290090

Characteristics

PSA：

58.9

XLogP3：

4.14290

Appearance：

Liquid

Density：

1.01g/cm3

Boiling Point：

445.7ºC at 760 mmHg

Flash Point：

97℃

Refractive Index：

1.501

Safety Information

safety instructions：

S26-S36/37/39-S45

Precautionary statement(s)：

P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 1605 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Aurantiol Use and Manufacturing

Uses

It is used in daily essences such as orange blossom type and citrus type, and is more stable in soap and detergent

Odor agents

Air care products

Manufacturing Info：

All other chemical product and preparation manufacturing|Benzoic acid, 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:305.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:305.19909372
Monoisotopic Mass:305.19909372
Topological Polar Surface Area:58.9
Heavy Atom Count:22
Complexity:365
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Aurantiol

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

Aurantiol

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