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trans-Cinnamyl butyrate

trans-Cinnamyl butyrate structure

CAS No:
78761-39-4
Formula:
C13H16O2
Chemical Name:
trans-Cinnamyl butyrate
Synonyms:
Butanoic acid,(2E)-3-phenyl-2-propen-1-yl ester;Butanoic acid,3-phenyl-2-propenyl ester,(E)-;Butanoic acid,(2E)-3-phenyl-2-propenyl ester;trans-Cinnamyl butyrate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colourless to yellowish liquid, fruity slightly floral balsamic odour

trans-Cinnamyl butyrate Basic Attributes

Molecular Weight：

204.26

Exact Mass：

204.26

EC Number：

203-128-7

UNII：

TKZ9V37P1G

NSC Number：

30528

DSSTox ID：

DTXSID2059277

Characteristics

PSA：

26.3

XLogP3：

3.1

Density：

1.013 g/mL at 25 °C(lit.)

Boiling Point：

300 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

1.525-1.530

Water Solubility：

insoluble in water|miscible (in ethanol)

Safety Information

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

RTECS Number：

ES8815000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 278 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cinnamyl butyrate

trans-Cinnamyl butyrate Use and Manufacturing

Manufacturing Info：

Butanoic acid, 3-phenyl-2-propen-1-yl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:204.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:204.115029749
Monoisotopic Mass:204.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:203
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of trans-Cinnamyl butyrate

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

trans-Cinnamyl butyrate

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