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3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate

3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate structure

CAS No:
67634-20-2
Formula:
C14H20O2
Chemical Name:
3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl ester;3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate Basic Attributes

Molecular Weight：

220.31

Exact Mass：

220.31

EC Number：

266-825-5

DSSTox ID：

DTXSID2052360

Characteristics

PSA：

26.3

XLogP3：

3.46

Appearance：

Liquid

Density：

1.1±0.1 g/cm3

Boiling Point：

287.7±19.0 °C at 760 mmHg

Flash Point：

120.1±9.0 °C

Refractive Index：

1.525

Safety Information

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

Not Classified

3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate Use and Manufacturing

Uses

Odor agents

Air care products

Production

25,000 - 100,000 lb

Manufacturing Info：

Miscellaneous manufacturing|Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl ester: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Computed Properties

Molecular Weight:220.31
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:332
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(-)-Bornyl isobutyrate Formula

85586-66-9
Isobornyl isobutyrate Formula

85586-67-0
Propyl isobutyrate Formula

644-49-5
Piperonyl isobutyrate Structure

5461-08-5
Neryl isobutyrate Structure

2345-24-6
What is Heptyl isobutyrate

2349-13-5
What is Testosterone, isobutyrate

1169-49-9

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Guide of 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate

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

3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate

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