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Hexanoin

Hexanoin structure

CAS No:
11139-91-6
Formula:
C6H12O2.xC3H8O3
Chemical Name:
Hexanoin
Synonyms:
Hexanoic acid,ester with 1,2,3-propanetriol;Caproin;Hexanoin;Imwitor 642;Glycerol hexanoate

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Hexanoin Basic Attributes

Molecular Weight：

208.25 g/mol

Exact Mass：

208.13107373 g/mol

EC Number：

234-396-3

NSC Number：

57384

DSSTox ID：

DTXSID50149635

Characteristics

PSA：

98 Å²

Density：

1.1352 g/cm³ @ Temp: 20 °C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:208.25
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:208.13107373
Monoisotopic Mass:208.13107373
Topological Polar Surface Area:98
Heavy Atom Count:14
Complexity:94.1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Hexanoin

Basic Attributes
Characteristics
Safety Information
Computed Properties

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