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Merck
CN

95594

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde

mixture of isomers, ≥97.0% (GC)

Synonym(s):

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexenecarboxaldehyde, 4-(4-Methyl-4-hydroxyamyl)cyclohex-3-ene carboxaldehyde, Landolal, Liral

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About This Item

Empirical Formula (Hill Notation):
C13H22O2
CAS Number:
31906-04-4
Molecular Weight:
210.31
NACRES:
NA.22
PubChem Substance ID:
57653687
UNSPSC Code:
12352100
EC Number:
250-863-4
MDL number:
MFCD00019423
Assay:
≥97.0% (GC)
Form:
liquid

Key Documents

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InChI key

ORMHZBNNECIKOH-UHFFFAOYSA-N

InChI

1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3

SMILES string

[H]C(=O)C1CCC(CCCC(C)(C)O)=CC1

assay

≥97.0% (GC)

form

liquid

density

0.995 g/mL at 20 °C

functional group

aldehyde, hydroxyl

storage temp.

2-8°C

Quality Level

100

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Related Categories

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

275.2 °F

flash_point_c

135.1 °C

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL0063
BCCK1463
BCCK2524
BCCJ8066
BCCC1921

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Andrea Krautheim et al.
Contact dermatitis, 63(5), 262-269 (2010-10-16)
The fragrance mix (FM I), established in 1977, detects the majority, but not all cases of contact allergy to fragrances. Based on European research 2002/2003, fragrance mix II (FM II) was developed to supplement FM I. In 2005, the German
A new IFRA Standard on the fragrance ingredient, hydroxyisohexyl 3-cyclohexene carboxaldehyde.
Anne Marie Api et al.
Contact dermatitis, 62(4), 254-255 (2010-05-04)
Prevalence of allergic contact dermatitis caused by hydroxyisohexyl 3-cyclohexene carboxaldehyde has not changed in Denmark.
Maria V Heisterberg et al.
Contact dermatitis, 67(1), 49-51 (2012-06-12)
Patch-testing with fragrance mix II.
Györgyi Pónyai et al.
Dermatitis : contact, atopic, occupational, drug, 22(3), 169-170 (2011-05-17)
Maria V Heisterberg et al.
Contact dermatitis, 65(5), 266-275 (2011-09-29)
Fragrance ingredients are a frequent cause of allergic contact dermatitis. The EU Cosmetics Directive states that 26 specific fragrance ingredients, known to cause allergic contact dermatitis, must be declared on the ingredient lists of cosmetic products. To investigate frequencies of
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