The Certificate of Analysis provides the sum of the isomers as determined by GC. The ratio or quantity of each is not reported. No further information is available. See the link below to review the CofA:
https://www.sigmaaldrich.com/certificates/COFA/W4/W431105/W431105-BULK-K____SHBN3322__.pdf
W431105
Methyl cyclohexadiene
mixture of isomers, stabilized, ≥98%
Synonym(s):
Lemon hexadiene
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W431105-SAMPLE-K
£132.00
100 G
£264.00
500 G
£676.00
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W431105-SAMPLE-K
£132.00
100 G
£264.00
500 G
£676.00
About This Item
Empirical Formula (Hill Notation):
C7H10
CAS Number:
Molecular Weight:
94.15
FEMA Number:
4311
UNSPSC Code:
12164502
NACRES:
NA.21
grade:
Halal
Kosher
Kosher
food allergen:
no known allergens
Recommended Products
grade
Halal
Kosher
Agency
follows IFRA guidelines
meets purity specifications of JECFA
reg. compliance
EU Regulation 1223/2009
FDA 21 CFR 117
Assay
≥98%
contains
synthetic α-Tocopherol as stabilizer
Documentation
see Safety & Documentation for available documents
food allergen
no known allergens
fragrance allergen
no known allergens
Organoleptic
lemon; lime; earthy
storage temp.
2-8°C
SMILES string
C1CC=CC=C1C
InChI
1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChI key
QMFJIJFIHIDENY-UHFFFAOYSA-N
Disclaimer
For R&D or non-EU Food use. Not for retail sale.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Liq. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
40.1 °F
Flash Point(C)
4.5 °C
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What is the ratio (ballpark is fine) between the isomers CAS 30640-46-1 and CAS 1888-90-0?
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