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Merck
CN

W263907

Linalyl butyrate

≥95%, FG

Synonym(s):

3,7-dimethyl-1,6-octadien-3-yl butyrate, 3,7-dimethylocta-1,6-dien-3-yl butanoate, Butyric acid linalyl ester, Linalool butyrate, Linalyl 3-methylpropionate

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About This Item

Linear Formula:
CH3CH2CH2CO2C(CH=CH2)(CH3)CH2CH2CH=C(CH3)2
CAS Number:
78-36-4
Molecular Weight:
224.34
FEMA Number:
2639
Council of Europe no.:
276
UNSPSC Code:
12164502
PubChem Substance ID:
24901217
NACRES:
NA.21
EC Number:
201-109-8
Flavis number:
9.050
MDL number:
MFCD00048716
Organoleptic:
berry; fruity; floral; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

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

InChI

1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3

InChI key

FHLGUOHLUFIAAA-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥95%

refractive index

n20/D 1.45 (lit.)

bp

80-82 °C/0.2 mmHg (lit.)

density

0.892 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

berry; fruity; floral; sweet

Quality Level

300, 400

Related Categories

pictograms

Environment
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

217.4 °F - closed cup

flash_point_c

103.00 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2413
SHBQ0540
SHBQ0662
SHBN8091
SHBN7747

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C S Letizia et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 41(7), 983-987 (2003-06-14)
A toxicologic and dermatologic review of linalyl butyrate when used as a fragrance ingredient is presented.
Polina D Blagojević et al.
Chemistry & biodiversity, 12(8), 1237-1255 (2015-08-13)
The plant volatile profile and the essential-oil chemical composition change during the storage of plant material. The objective of this study was to develop a mathematical model able to predict, explain, and quantify these changes. Mathematical equations, derived under the

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