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6-Methylheptanoic acid

6-Methylheptanoic acid structure

CAS No:
929-10-2
Formula:
C8H16O2
Chemical Name:
6-Methylheptanoic acid
Synonyms:
Heptanoic acid,6-methyl-;6-Methylheptanoic acid;Isocaprylic acid;iso-Caprylic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Liquid

6-methyl-heptanoic acid is a medium-chain fatty acid.

6-Methylheptanoic acid Basic Attributes

Molecular Weight：

144.211

Exact Mass：

144.21

EC Number：

246-617-0

UNII：

7R20G8CX85

DSSTox ID：

DTXSID5040251

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

2.72

Appearance：

Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

0 °C

Boiling Point：

126-127 °C @ Press: 14 Torr

Flash Point：

116.6±6.9 °C

Refractive Index：

1.435

Water Solubility：

Miscible with chloroform and methanol. Slightly miscible with water.

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (93.94%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 34 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cekanoic C8 acid

6-Methylheptanoic acid Use and Manufacturing

Manufacturing Info：

Isooctanoic acid: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Computed Properties

Molecular Weight:144.21
XLogP3:2.7
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:97.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 6-Methylheptanoic acid

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

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6-METHYLHEPTANOIC ACID

CAS No.: 929-10-2

Grade: Chemical Grade

Content: 95%

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Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

6-methylheptanoic acid CAS 929-10-2

CAS No.: 929-10-2

Grade: Pharmaceutical Grade

Content: 99%

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