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Merck
CN

W264601

Linalyl isovalerate

≥95%, FG

Synonym(s):

Linalyl 3-methylbutanoate

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About This Item

Linear Formula:
(CH3)2CHCH2CO2C(CH=CH2)(CH3)CH2CH2CH=C(CH3)2
CAS Number:
1118-27-0
Molecular Weight:
238.37
FEMA Number:
2646
Council of Europe no.:
449
UNSPSC Code:
12164502
PubChem Substance ID:
24901220
Flavis number:
9.454
EC Number:
214-259-4
NACRES:
NA.21
MDL number:
MFCD00048304
Organoleptic:
apple; sage; sweet
Grade:
FG
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

Linalyl isovalerate, ≥95%, FG

SMILES string

CC(C)CC(=O)OC(C)(CC\C=C(\C)C)C=C

InChI

1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3

InChI key

WCDGWAIZRYMVOW-UHFFFAOYSA-N

biological source

synthetic

grade

FG

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥95%

refractive index

n20/D 1.451 (lit.)

bp

188 °C (lit.)

density

0.885 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; sage; sweet

Quality Level

400

General description

Linalyl isovalerate is commonly used as a fragrance ingredient.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP6320
SHBN7004
MKBZ9756V
MKCF0366
MKCB9692

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RIFM fragrance ingredient safety assessment, Linalyl isovalerate, CAS Registry Number 1118-27-0.
Api AM, et al.
Food And Chemical Toxicology, 84, S88-S99 (2015)
C S Letizia et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 41(7), 1011-1015 (2003-06-14)
A toxicologic and dermatologic review of linalyl isovalerate when used as a fragrance ingredient is presented.

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