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2-Methylheptanoic acid

2-Methylheptanoic acid structure

CAS No:
1188-02-9
Formula:
C8H16O2
Chemical Name:
2-Methylheptanoic acid
Synonyms:
Heptanoic acid,2-methyl-;2-Methylheptanoic acid;α-Methylheptanoic acid;(±)-2-Methylheptanoic acid;128441-06-5
Categories:
Chemical Reagents > Organic Reagents

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Description

2-Methylheptanoic acid is a flavouring ingredient, isolated from honey.

colourless oily liquid, solidifies in the cold to colourless or white scaly crystals; fatty, sour, rancid-like aroma

2-Methylheptanoic acid is a medium-chain fatty acid.

2-Methylheptanoic acid Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

214-704-2

HScode：

2916190090

Characteristics

PSA：

37.3

XLogP3：

2.72

Appearance：

colourless oily liquid, solidifies in the cold to colourless or white scaly crystals; fatty, sour, rancid-like aroma

Density：

0.9122 g/cm³ @ Temp: 20 °C

Melting Point：

15.00°C.@760.00mmHg

Boiling Point：

121-122 °C @ Press: 13 Torr

Flash Point：

>230 °F

Refractive Index：

1.435

Water Solubility：

Very slightly soluble in water; soluble in oils

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG III

wgk germany：

hazard class code：

37/38-41

safety instructions：

26-39-24/25

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

GHS Classification：

|Warning|H315 (99.85%): 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 1447 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methylheptanoic acid Use and Manufacturing

Uses

It can be used in the preparation of cheese and dairy flavors.

Manufacturing Info：

Heptanoic acid, 2-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.21
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:99.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1188-02-9

Grade: Pharmaceutical Grade

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CAS No.: 1188-02-9

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